PCIDB

KNApSAcK Metabolite C00003110

Metabolite

KNApSAcK Entry

id C00003110
Name Caryophyllene / (E)-Caryophyllene / beta-Caryophyllene / (-)-(E)-Caryophyllene / (E)-beta-Caryophyllene
CAS RN 87-44-5
Standard InChI InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m1/s1
Standard InChI (Main Layer) InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3

Cluster

Phytochemical cluster No. 38
KCF-S cluster No. 478

Link

ChEMBL

By standard InChI CHEMBL445740
By standard InChI Main Layer CHEMBL445740 CHEMBL448700

KEGG

By LinkDB C09629

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 33
rosids 23
Embryophyta 10
Magnoliophyta 9
Spermatophyta 9
Liliopsida 4
eudicotyledons 2

Family (Top 10)

family name count
Lamiaceae 13
Asteraceae 10
Rutaceae 9
Pinaceae 8
Solanaceae 6
Frullaniaceae 6
Myrtaceae 5
Annonaceae 3
Cistaceae 2
Lauraceae 2

List (90)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Aframomum melegueta 637930 Zingiberaceae Liliopsida Viridiplantae
Annona squamosa 301693 Annonaceae Magnoliophyta Viridiplantae
Arabidopsis thaliana 3702 Brassicaceae rosids Viridiplantae
Artemisia annua 35608 Asteraceae asterids Viridiplantae
Artemisia annua L.cultivar Jwarharti 4219 Asteraceae asterids Viridiplantae
Artemisia spp. 4219 Asteraceae asterids Viridiplantae
Capillipedium parviflorum 79829 Poaceae Liliopsida Viridiplantae
Caryopteris spp. 41385 Lamiaceae asterids Viridiplantae
Cedrus libani 93692 Pinaceae Spermatophyta Viridiplantae
Centaurea armena 363414 Asteraceae asterids Viridiplantae
Centaurea sessilis 41503 Asteraceae asterids Viridiplantae
Cinnamomum illicioides 13428 Lauraceae Magnoliophyta Viridiplantae
Cinnamomum spp. 13428 Lauraceae Magnoliophyta Viridiplantae
Cistus albidus 335163 Cistaceae rosids Viridiplantae
Cistus creticus 191224 Cistaceae rosids Viridiplantae
Citrus aurantifolia 159033 Rutaceae rosids Viridiplantae
Citrus aurantium 43166 Rutaceae rosids Viridiplantae
Citrus grandis 37334 Rutaceae rosids Viridiplantae
Citrus hystrix 170989 Rutaceae rosids Viridiplantae
Citrus limon 2708 Rutaceae rosids Viridiplantae
Citrus paradisi 37656 Rutaceae rosids Viridiplantae
Citrus reticulata 85571 Rutaceae rosids Viridiplantae
Citrus sinensis 2711 Rutaceae rosids Viridiplantae
Citrus spp. 2706 Rutaceae rosids Viridiplantae
Commiphora holtziana 43868 Burseraceae rosids Viridiplantae
Copaifera spp. 162716 Fabaceae rosids Viridiplantae
Cuminum cyminum L. 52462 Apiaceae asterids Viridiplantae
Cyperus alopecuroides 1234173 Cyperaceae Liliopsida Viridiplantae
Cyperus rotundus L. 512623 Cyperaceae Liliopsida Viridiplantae
Dianthus caryophyllus L. 3570 Caryophyllaceae eudicotyledons Viridiplantae
Eucalyptus spp. 3932 Myrtaceae rosids Viridiplantae
Eugenia caryophyllata 219868 Myrtaceae rosids Viridiplantae
Eugenia zuchowskiae 119950 Myrtaceae rosids Viridiplantae
Frullania aterrima var. aterrima 95763 Frullaniaceae Embryophyta Viridiplantae
Frullania falciloba 642302 Frullaniaceae Embryophyta Viridiplantae
Frullania monocera 236963 Frullaniaceae Embryophyta Viridiplantae
Frullania probosciphora 95763 Frullaniaceae Embryophyta Viridiplantae
Frullania pycnantha 642351 Frullaniaceae Embryophyta Viridiplantae
Frullania spinifera 642367 Frullaniaceae Embryophyta Viridiplantae
Gackstroemia magellanica 255966 Lepidolaenaceae Embryophyta Viridiplantae
Guarea macrophylla ssp.tuberculata 43908 Meliaceae rosids Viridiplantae
Guatteriopsis blepharophylla 402568 Annonaceae Magnoliophyta Viridiplantae
Guatteriopsis hispida 402570 Annonaceae Magnoliophyta Viridiplantae
Houttuynia cordata 16752 Saururaceae Magnoliophyta Viridiplantae
Houttuynia emeiensis 16751 Saururaceae Magnoliophyta Viridiplantae
Juniperus spp. 13100 Cupressaceae Spermatophyta Viridiplantae
Lantana camara L. 126435 Verbenaceae asterids Viridiplantae
Lavandula spp. 39169 Lamiaceae asterids Viridiplantae
Lepidozia fauriana 989928 Lepidoziaceae Embryophyta Viridiplantae
Leptospermum scoparium 295139 Myrtaceae rosids Viridiplantae
Lycopersicon esculentum 4081 Solanaceae asterids Viridiplantae
Mentha piperita L. 21819 Lamiaceae asterids Viridiplantae
Mentha pulegium L. 294739 Lamiaceae asterids Viridiplantae
Mentha spp. 21819 Lamiaceae asterids Viridiplantae
Myrtus communis 119949 Myrtaceae rosids Viridiplantae
Nicotiana alata 4087 Solanaceae asterids Viridiplantae
Nicotiana cavicola 118690 Solanaceae asterids Viridiplantae
Nicotiana ingulba 200307 Solanaceae asterids Viridiplantae
Nicotiana langsdorffii 118700 Solanaceae asterids Viridiplantae
Nicotiana mutabilis 497760 Solanaceae asterids Viridiplantae
Perilla ocimoides 4136 Lamiaceae asterids Viridiplantae
Peucedanum paniculatum L. 49562 Apiaceae asterids Viridiplantae
Pinus eldarica 1193841 Pinaceae Spermatophyta Viridiplantae
Pinus halepensis 71633 Pinaceae Spermatophyta Viridiplantae
Pinus kochiana 1074822 Pinaceae Spermatophyta Viridiplantae
Pinus pallasiana 3318 Pinaceae Spermatophyta Viridiplantae
Pinus sosnowskyi 3318 Pinaceae Spermatophyta Viridiplantae
Pinus spp. 3318 Pinaceae Spermatophyta Viridiplantae
Pinus sylvestris L.var.sylvestris. 3318 Pinaceae Spermatophyta Viridiplantae
Piper arboreum 130381 Piperaceae Magnoliophyta Viridiplantae
Pleodendron costaricense 549616 Canellaceae Magnoliophyta Viridiplantae
Pteronia eenii 72970 Asteraceae asterids Viridiplantae
Ptilidium ciliare 139839 Ptilidiaceae Embryophyta Viridiplantae
Quercus coccifera 58335 Fagaceae rosids Viridiplantae
Rhaponticum carthamoides 362630 Asteraceae asterids Viridiplantae
Rhodiola rosea L. 203015 Crassulaceae eudicotyledons Viridiplantae
Rosmarinus officinalis 39367 Lamiaceae asterids Viridiplantae
Salvia canariensis L. 49210 Lamiaceae asterids Viridiplantae
Salvia spp. 21880 Lamiaceae asterids Viridiplantae
Scapania undulata 215256 Scapaniaceae Embryophyta Viridiplantae
Schinus terebinthus 43850 Anacardiaceae rosids Viridiplantae
Serratula wolfi 41634 Asteraceae asterids Viridiplantae
Solidago canadensis 59297 Asteraceae asterids Viridiplantae
Thymus piperella 49990 Lamiaceae asterids Viridiplantae
Thymus spp. 49990 Lamiaceae asterids Viridiplantae
Trichogonia grazielae 4210 Asteraceae asterids Viridiplantae
Trichostema lanceolatum 201523 Lamiaceae asterids Viridiplantae
Trifolium repens L. 3899 Fabaceae rosids Viridiplantae
Valeriana officinalis 19953 Caprifoliaceae asterids Viridiplantae
Vitex negundo 361442 Lamiaceae asterids Viridiplantae

Human Protein / Gene in interaction

2 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
O00255 Menin Unclassified protein CHEMBL445740 CHEMBL1614531 (1)
2 / 5
Q03164 Histone-lysine N-methyltransferase 2A Enzyme CHEMBL445740 CHEMBL1614531 (1)
1 / 3

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (3)

OMIM preferred title UniProt
#605130 Hairy elbows, short stature, facial dysmorphism, and developmental delay Q03164
#145000 Hyperparathyroidism 1; hrpt1 O00255
#131100 Multiple endocrine neoplasia, type i; men1 O00255

KEGG DISEASE (7)

KEGG disease name UniProt
H00033 Adrenal carcinoma O00255 (related)
H00034 Carcinoid O00255 (related)
H00045 Malignant islet cell carcinoma O00255 (related)
H00246 Primary hyperparathyroidism O00255 (related)
H01102 Pituitary adenomas O00255 (related)
H00001 Acute lymphoblastic leukemia (ALL) (precursor B lymphoblastic leukemia) Q03164 (related)
Q03164 (marker)
H00002 Acute lymphoblastic leukemia (ALL) (precursor T lymphoblastic leukemia) Q03164 (related)