PCIDB

KNApSAcK Metabolite C00002253

Metabolite

KNApSAcK Entry

id C00002253
Name Jervine
CAS RN 469-59-0
Standard InChI InChI=1S/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3/t14-,16+,18-,19-,20-,21+,23+,24-,26-,27-/m0/s1
Standard InChI (Main Layer) InChI=1S/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3

Cluster

Phytochemical cluster No. 11
KCF-S cluster No. 587

Link

ChEMBL

By standard InChI CHEMBL186779
By standard InChI Main Layer CHEMBL186779 CHEMBL1402135 CHEMBL1717145 CHEMBL1742371

KEGG

By LinkDB C10811

CTD

By CAS RN C010206

Human Protein / Gene in interaction

11 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
Q15125 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase Enzyme CHEMBL186779 CHEMBL829736 (1)
1 / 1
P10635 Cytochrome P450 2D6 Cytochrome P450 2D6 CHEMBL1742371 CHEMBL1741321 (1)
1 / 0
P11712 Cytochrome P450 2C9 Cytochrome P450 2C9 CHEMBL1742371 CHEMBL1741325 (1)
0 / 1
Q15465 Sonic hedgehog protein Unclassified protein CHEMBL186779 CHEMBL972423 (1)
4 / 5
Q92830 Histone acetyltransferase KAT2A Enzyme CHEMBL1717145 CHEMBL1738606 (1)
0 / 0
Q99720 Sigma non-opioid intracellular receptor 1 Membrane receptor CHEMBL186779 CHEMBL839610 (1)
1 / 0
P63092 Guanine nucleotide-binding protein G(s) subunit alpha isoforms short Other membrane protein CHEMBL1402135 CHEMBL2114810 (1)
7 / 3
P05177 Cytochrome P450 1A2 Cytochrome P450 1A2 CHEMBL1742371 CHEMBL1741322 (1)
0 / 0
P33261 Cytochrome P450 2C19 Cytochrome P450 2C19 CHEMBL1742371 CHEMBL1741323 (1)
1 / 1
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL1742371 CHEMBL1741324 (1)
0 / 1
Q9UNA4 DNA polymerase iota Enzyme CHEMBL1402135 CHEMBL1794483 (1)
0 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (15)

OMIM preferred title UniProt
#219080 Acth-independent macronodular adrenal hyperplasia; aimah P63092
#614373 Amyotrophic lateral sclerosis 16, juvenile; als16 Q99720
#302960 Chondrodysplasia punctata 2, x-linked dominant; cdpx2 Q15125
#609535 Drug metabolism, poor, cyp2c19-related P33261
#608902 Drug metabolism, poor, cyp2d6-related P10635
#142945 Holoprosencephaly 3; hpe3 Q15465
#174800 Mccune-albright syndrome; mas P63092
#611638 Microphthalmia, isolated, with coloboma 5; mcopcb5 Q15465
#166350 Osseous heteroplasia, progressive; poh P63092
#102200 Pituitary adenoma, growth hormone-secreting P63092
#174500 Polydactyly, preaxial ii; ppd2 Q15465
#103580 Pseudohypoparathyroidism, type ia; php1a P63092
#603233 Pseudohypoparathyroidism, type ib; php1b P63092
#612462 Pseudohypoparathyroidism, type ic; php1c P63092
#147250 Solitary median maxillary central incisor; smmci Q15465

KEGG DISEASE (12)

KEGG disease name UniProt
H00036 Osteosarcoma P08684 (marker)
H01205 Coumarin resistance P11712 (related)
H01171 Poor drug metabolism (PM) P33261 (related)
H00244 Pseudohypoparathyroidism P63092 (related)
H00441 Progressive osseous heteroplasia (POH) P63092 (related)
H00501 Fibrous dysplasia, polyostotic P63092 (related)
H01194 X-linked chondrodysplasia punctata Q15125 (related)
H00039 Basal cell carcinoma Q15465 (related)
H00267 Holoprosencephaly (HPE) Q15465 (related)
H00652 Solitary median maxillary central incisor syndrome Q15465 (related)
H01027 Anophthalmia and microphthalmia (A/M) Q15465 (related)
H01160 Schizencephaly Q15465 (related)