GOMISIN G

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H32O9
Molecular Weight	536.5697
Optical Activity	UNSPECIFIED
Additional Stereochemistry	Yes
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0
Stereo Comments	AXIAL, S

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C(OC)C(OC)=C2C(C[C@H](C)[C@](C)(O)[C@@H](OC(=O)C3=CC=CC=C3)C4=C2C(OC)=C5OCOC5=C4)=C1

InChI

InChIKey=OFDWKHIQKPKRKY-DSASHONVSA-N

InChI=1S/C30H32O9/c1-16-12-18-13-20(33-3)24(34-4)26(35-5)22(18)23-19(14-21-25(27(23)36-6)38-15-37-21)28(30(16,2)32)39-29(31)17-10-8-7-9-11-17/h7-11,13-14,16,28,32H,12,15H2,1-6H3/t16-,28-,30-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C30H32O9
Molecular Weight	536.5697
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Acetylcholinesterase 207 Target ID: CHEMBL220 Sources: https://www.ncbi.nlm.nih.gov/pubmed/17679544	Inhibitor 8297		6.55 µM [IC50]
Cytochrome P450 3A4 127 Target ID: CHEMBL340 Sources: https://www.ncbi.nlm.nih.gov/pubmed/15342469	Inhibitor 8297		1.02 µM [IC50]

PubMed

Title	Date	PubMed

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:10:52 UTC 2023` Edited by `admin` on `Sat Dec 16 11:10:52 UTC 2023`
Record UNII	6B4CV8T31X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GOMISIN G

Common Name

English

(-)-GOMISIN G

Common Name

English

BENZO(3,4)CYCLOOCTA(1,2-F)(1,3)BENZODIOXOLE-7,8-DIOL, 5,6,7,8-TETRAHYDRO-1,2,3,13-TETRAMETHOXY-6,7-DIMETHYL-, 8-BENZOATE, (6S,7S,8S,13AS)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

14992067

Created by admin on Sat Dec 16 11:10:52 UTC 2023 , Edited by admin on Sat Dec 16 11:10:52 UTC 2023

PRIMARY

CAS

62956-48-3

Created by admin on Sat Dec 16 11:10:52 UTC 2023 , Edited by admin on Sat Dec 16 11:10:52 UTC 2023

PRIMARY

FDA UNII

6B4CV8T31X

Created by admin on Sat Dec 16 11:10:52 UTC 2023 , Edited by admin on Sat Dec 16 11:10:52 UTC 2023

PRIMARY

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