PCIDB

KNApSAcK Metabolite C00012483

Metabolite

KNApSAcK Entry

id C00012483
Name Betula pubescens / Caryophyllene oxide / trans-Caryophyllene oxide / beta-Caryophyllene epoxide / (-)-Epoxydihydrocaryophyllene / 6,7-Epoxy-3(15)-caryophyllene / (-)-beta-Caryophyllene epoxide / 4beta,5alpha-Epoxycaryophyllene / Caryophyllene 4beta,5alpha-epoxide
CAS RN 1139-30-6
Standard InChI InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12-,13-,15-/m1/s1
Standard InChI (Main Layer) InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3

Cluster

Phytochemical cluster
KCF-S cluster No. 500

Link

ChEMBL

By standard InChI CHEMBL508894
By standard InChI Main Layer CHEMBL399036 CHEMBL508894 CHEMBL479134 CHEMBL1513806 CHEMBL1553274

KEGG

By LinkDB C16908

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 14
rosids 11
Magnoliophyta 5
Liliopsida 3
Spermatophyta 1
Embryophyta 1

Family (Top 10)

family name count
Asteraceae 8
Lamiaceae 3
Fabaceae 3
Myrtaceae 3
Rutaceae 2
Annonaceae 2
Verbenaceae 2
Pinaceae 1
Apiaceae 1
Cistaceae 1

List (35)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Acorus calanus L. 4464 Acoraceae Liliopsida Viridiplantae
Aglaia foveolata 201006 Meliaceae rosids Viridiplantae
Anthemis aciphylla BOISS.var.discoidea BOISS 99027 Asteraceae asterids Viridiplantae
Artabotrys stenopetalus 225832 Annonaceae Magnoliophyta Viridiplantae
Artabotrys uncinatus 225832 Annonaceae Magnoliophyta Viridiplantae
Artemisia annua L.cultivar Jwarharti 4219 Asteraceae asterids Viridiplantae
Artemisia vulgaris 4220 Asteraceae asterids Viridiplantae
Baccharis dracunculifolia 72900 Asteraceae asterids Viridiplantae
Betula pubescens 38787 Betulaceae rosids Viridiplantae
Caesalpinia pulcherrima 53846 Fabaceae rosids Viridiplantae
Capillipedium parviflorum 79829 Poaceae Liliopsida Viridiplantae
Cinnamomum subavenium MIQ. 977953 Lauraceae Magnoliophyta Viridiplantae
Cistus albidus 335163 Cistaceae rosids Viridiplantae
Copaifera guianensis 162716 Fabaceae rosids Viridiplantae
Copaifera multijuga 327897 Fabaceae rosids Viridiplantae
Eugenia caryophyllata 219868 Myrtaceae rosids Viridiplantae
Frullania probosciphora 95763 Frullaniaceae Embryophyta Viridiplantae
Houttuynia cordata 16752 Saururaceae Magnoliophyta Viridiplantae
Leptospermum scoparium 295139 Myrtaceae rosids Viridiplantae
Lippia javanica 925357 Verbenaceae asterids Viridiplantae
Lippia ukambensis 320344 Verbenaceae asterids Viridiplantae
Mentha piperita 34256 Lamiaceae asterids Viridiplantae
Myrtus communis 119949 Myrtaceae rosids Viridiplantae
Pinus halepensis 71633 Pinaceae Spermatophyta Viridiplantae
Piper philippinum 13215 Piperaceae Magnoliophyta Viridiplantae
Plectranthus marrubioides 41227 Lamiaceae asterids Viridiplantae
Poncirus trifoliata 37690 Rutaceae rosids Viridiplantae
Prangos tschimganica 52496 Apiaceae asterids Viridiplantae
Rosmarinus officinalis 39367 Lamiaceae asterids Viridiplantae
Santolina corsica Jordan et Fourr 41642 Asteraceae asterids Viridiplantae
Senecio chionophilus 18794 Asteraceae asterids Viridiplantae
Serratula wolfi 41634 Asteraceae asterids Viridiplantae
Tarchonanthus camphoratus 41650 Asteraceae asterids Viridiplantae
Zanthoxylum decaryi 67937 Rutaceae rosids Viridiplantae
Zingiber zerumbet Smith 4650 Zingiberaceae Liliopsida Viridiplantae

Human Protein / Gene in interaction

3 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P11712 Cytochrome P450 2C9 Cytochrome P450 2C9 CHEMBL1513806 CHEMBL1614027 (1)
0 / 1
P33261 Cytochrome P450 2C19 Cytochrome P450 2C19 CHEMBL1513806 CHEMBL1613777 (1)
1 / 1
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL1553274 CHEMBL1614108 (1) CHEMBL1613886 (1)
0 / 1

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (1)

OMIM preferred title UniProt
#609535 Drug metabolism, poor, cyp2c19-related P33261

KEGG DISEASE (3)

KEGG disease name UniProt
H00036 Osteosarcoma P08684 (marker)
H01205 Coumarin resistance P11712 (related)
H01171 Poor drug metabolism (PM) P33261 (related)