PCIDB

KNApSAcK Metabolite C00001644

Metabolite

KNApSAcK Entry

id C00001644
Name Hypaconitine
CAS RN 6900-87-4
Standard InChI InChI=1S/C33H45NO10/c1-17(35)44-33-21-19(14-31(38,28(42-6)26(33)36)27(21)43-29(37)18-10-8-7-9-11-18)32-20(40-4)12-13-30(16-39-3)15-34(2)25(32)22(33)23(41-5)24(30)32/h7-11,19-28,36,38H,12-16H2,1-6H3/t19-,20+,21-,22+,23+,24-,25?,26+,27-,28+,30?,31-,32+,33-/m1/s1
Standard InChI (Main Layer) InChI=1S/C33H45NO10/c1-17(35)44-33-21-19(14-31(38,28(42-6)26(33)36)27(21)43-29(37)18-10-8-7-9-11-18)32-20(40-4)12-13-30(16-39-3)15-34(2)25(32)22(33)23(41-5)24(30)32/h7-11,19-28,36,38H,12-16H2,1-6H3

Cluster

Phytochemical cluster No. 10
KCF-S cluster No. 138

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL400315 CHEMBL2062951

KEGG

By LinkDB C08688

CTD

By CAS RN C058309

Human Protein / Gene in interaction

CTD interaction (7)

compound gene gene name gene description interaction interaction type form reference
pmid
C058309 1544 CYP1A2
CP12
P3-450
P450(PA)
cytochrome P450, family 1, subfamily A, polypeptide 2 (EC:1.14.14.1) CYP1A2 protein results in increased metabolism of hypaconitine increases metabolic processing
protein 21550385
C058309 1557 CYP2C19
CPCJ
CYP2C
P450C2C
P450IIC19
cytochrome P450, family 2, subfamily C, polypeptide 19 (EC:1.14.13.48 1.14.13.49 1.14.13.80) CYP2C19 protein results in increased metabolism of hypaconitine increases metabolic processing
protein 21550385
C058309 1558 CYP2C8
CPC8
CYPIIC8
MP-12/MP-20
cytochrome P450, family 2, subfamily C, polypeptide 8 (EC:1.14.14.1) CYP2C8 protein results in increased metabolism of hypaconitine increases metabolic processing
protein 21550385
C058309 1565 CYP2D6
CPD6
CYP2D
CYP2D7AP
CYP2D7BP
CYP2D7P2
CYP2D8P2
CYP2DL1
CYPIID6
P450-DB1
P450C2D
P450DB1
cytochrome P450, family 2, subfamily D, polypeptide 6 (EC:1.14.14.1) CYP2D6 protein results in increased metabolism of hypaconitine increases metabolic processing
protein 21550385
C058309 1571 CYP2E1
CPE1
CYP2E
P450-J
P450C2E
cytochrome P450, family 2, subfamily E, polypeptide 1 (EC:1.14.13.n7) CYP2E1 protein results in increased metabolism of hypaconitine increases metabolic processing
protein 21550385
C058309 1576 CYP3A4
CP33
CP34
CYP3A
CYP3A3
CYPIIIA3
CYPIIIA4
HLP
NF-25
P450C3
P450PCN1
cytochrome P450, family 3, subfamily A, polypeptide 4 (EC:1.14.13.67 1.14.13.97 1.14.13.32 1.14.13.157) CYP3A4 protein results in increased metabolism of hypaconitine increases metabolic processing
protein 21550385
C058309 1577 CYP3A5
CP35
CYPIIIA5
P450PCN3
PCN3
cytochrome P450, family 3, subfamily A, polypeptide 5 (EC:1.14.14.1) CYP3A5 protein results in increased metabolism of hypaconitine increases metabolic processing
protein 21550385