PCIDB

KNApSAcK Metabolite C00049765

Metabolite

KNApSAcK Entry

id C00049765
Name (-)-Calycanthine
CAS RN 85548-42-1
Standard InChI InChI=1S/C22H26N4/c1-25-13-11-22-16-8-4-5-9-17(16)23-19(25)21(22)12-14-26(2)20(22)24-18-10-6-3-7-15(18)21/h3-10,19-20,23-24H,11-14H2,1-2H3/t19-,20?,21-,22-/m0/s1
Standard InChI (Main Layer) InChI=1S/C22H26N4/c1-25-13-11-22-16-8-4-5-9-17(16)23-19(25)21(22)12-14-26(2)20(22)24-18-10-6-3-7-15(18)21/h3-10,19-20,23-24H,11-14H2,1-2H3

Cluster

Phytochemical cluster No. 4
KCF-S cluster No. 1028

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL464770 CHEMBL1733079 CHEMBL1981354

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Rubiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Psychotria colorata 25443 Rubiaceae asterids Viridiplantae

Human Protein / Gene in interaction

9 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P10635 Cytochrome P450 2D6 Cytochrome P450 2D6 CHEMBL1733079 CHEMBL1741321 (1)
1 / 0
P11712 Cytochrome P450 2C9 Cytochrome P450 2C9 CHEMBL1733079 CHEMBL1741325 (1)
0 / 1
Q92830 Histone acetyltransferase KAT2A Enzyme CHEMBL1733079 CHEMBL1738606 (1)
0 / 0
O75496 Geminin Unclassified protein CHEMBL464770 CHEMBL1981354 CHEMBL2114780 (2)
0 / 0
P05177 Cytochrome P450 1A2 Cytochrome P450 1A2 CHEMBL1733079 CHEMBL1741322 (1)
0 / 0
P33261 Cytochrome P450 2C19 Cytochrome P450 2C19 CHEMBL1733079 CHEMBL1741323 (1)
1 / 1
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL1733079 CHEMBL1741324 (1)
0 / 1
Q96KQ7 Histone-lysine N-methyltransferase EHMT2 Enzyme CHEMBL464770 CHEMBL1738442 (1)
0 / 0
O94925 Glutaminase kidney isoform, mitochondrial Enzyme CHEMBL464770 CHEMBL1981354 CHEMBL2114738 (2)
0 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (2)

OMIM preferred title UniProt
#609535 Drug metabolism, poor, cyp2c19-related P33261
#608902 Drug metabolism, poor, cyp2d6-related P10635

KEGG DISEASE (3)

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