Gambogenic Acid

CAS

173932-75-7

Catalog Number

ACM173932757

Category

Inhibitors

Molecular Weight

630.77

Molecular Formula

C38H46O8

MSDS COA Spec Sheet

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Specification

Description

Gambogenic acid is an active ingredient in gamboge, with anticancer activity. Gambogenic acid acts as an effective inhibitor of EZH2, specifically and covalently binds to Cys668 within the EZH2-SET domain, and induces EZH2 ubiquitination.

Synonyms

(2Z)-4-[(1R,3aS,5S,12aS)-9-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-3a,4,5,7-tetrahydro-8,10-dihydroxy-3,3-dimethyl-11-(3-methyl-2-buten-1-yl)-7,13-dioxo-1,5-methano-1H,3H-furo[3,4-d]xanthen-1-yl]-2-methyl-2-butenoic acid

IUPAC Name

(Z)-4-[(1S,2S,13S,15R)-7-[(2E)-3,7-dimethylocta-2,6-dienyl]-6,8-dihydroxy-17,17-dimethyl-5-(3-methylbut-2-enyl)-10,14-dioxo-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraen-15-yl]-2-methylbut-2-enoic acid

Canonical SMILES

CC(=CCC/C(=C/CC1=C(C(=C2C(=C1O)C(=O)C3=C[C@@H]4C[C@@H]5[C@@]3(O2)[C@](C4=O)(OC5(C)C)C/C=C(/C)\C(=O)O)CC=C(C)C)O)/C)C

InChI

InChI=1S/C38H46O8/c1-20(2)10-9-11-22(5)13-15-25-30(39)26(14-12-21(3)4)33-29(31(25)40)32(41)27-18-24-19-28-36(7,8)46-37(34(24)42,38(27,28)45-33)17-16-23(6)35(43)44/h10,12-13,16,18,24,28,39-40H,9,11,14-15,17,19H2,1-8H3,(H,43,44)/b22-13+,23-16-/t24-,28+,37+,38-/m1/s1

InChI Key

RCWNBHCZYXWDOV-VSFMGBBVSA-N

Density

1.27±0.1 g/ml

Appearance

Brownish red powder

pKa

4.58±0.36