Structure

Gambogic Acid

CAS
2752-65-0
Catalog Number
ACM2752650
Category
Inhibitors
Molecular Weight
628.75
Molecular Formula
C38H44O8

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Specification

Description
Gambogic Acid (Beta-Guttiferrin) is derived from the gamboges resin of the tree Garcinia hanburyi. Gambogic Acid (Beta-Guttiferrin) inhibits Bcl-XL, Bcl-2, Bcl-W, Bcl-B, Bfl-1 and Mcl-1 with IC50s of 1.47 μM, 1.21 μM, 2.02 μM, 0.66 μM, 1.06 μM and 0.79 μM.
Synonyms
β-Guttilactone
IUPAC Name
(Z)-4-[(1S,2S,8R,17S,19R)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoic acid
Canonical SMILES
CC(=CCC[C@@]1(C=CC2=C(C3=C(C(=C2O1)CC=C(C)C)O[C@@]45[C@H]6C[C@@H](C=C4C3=O)C(=O)[C@@]5(OC6(C)C)C/C=C(/C)\C(=O)O)O)C)C
InChI
InChI=1S/C38H44O8/c1-20(2)10-9-15-36(8)16-14-24-29(39)28-30(40)26-18-23-19-27-35(6,7)46-37(33(23)41,17-13-22(5)34(42)43)38(26,27)45-32(28)25(31(24)44-36)12-11-21(3)4/h10-11,13-14,16,18,23,27,39H,9,12,15,17,19H2,1-8H3,(H,42,43)/b22-13-/t23-,27+,36-,37+,38-/m1/s1
InChI Key
GEZHEQNLKAOMCA-RRZNCOCZSA-N
Boiling Point
586.06 °C
Melting Point
88.5 °C
Density
1.11 g/ml
Appearance
Yellow powder
Hazard Statements
T
pKa
4.58±0.36
Safety Description
26-45
Supplemental Hazard Statements
H301-H315-H319-H335
Symbol
GHS06
What is the molecular formula of gambogic acid?

The molecular formula of gambogic acid is C38H44O8.

What is the molecular weight of gambogic acid?

The molecular weight of gambogic acid is 628.7 g/mol.

What is the IUPAC name of gambogic acid?

The IUPAC name of gambogic acid is (Z)-4-[(1S,2S,8R,17S,19R)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0 2,15 .0 2,19 .0 4,13 .0 6,11 ]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoic acid.

What is the InChI of gambogic acid?

The InChI of gambogic acid is InChI=1S/C38H44O8/c1-20(2)10-9-15-36(8)16-14-24-29(39)28-30(40)26-18-23-19-27-35(6,7)46-37(33(23)41,17-13-22(5)34(42)43)38(26,27)45-32(28)25(31(24)44-36)12-11-21(3)4/h10-11,13-14,16,18,23,27,39H,9,12,15,17,19H2,1-8H3,(H,42,43)/b22-13-/t23-,27+,36-,37+,38-/m1/s1.

What is the InChIKey of gambogic acid?

The InChIKey of gambogic acid is GEZHEQNLKAOMCA-RRZNCOCZSA-N.

What are the synonyms of gambogic acid?

The synonyms of gambogic acid include (-)-Gambogic Acid, Gambogic-acid, R-gambogic acid, and more.

What is the CAS number of gambogic acid?

The CAS number of gambogic acid is 2752-65-0.

What is the European Community (EC) Number of gambogic acid?

The European Community (EC) Number of gambogic acid is 631-063-8.

What is the Monoisotopic Mass of gambogic acid?

The Monoisotopic Mass of gambogic acid is 628.30361836 g/mol.

What is the Topological Polar Surface Area of gambogic acid?

The Topological Polar Surface Area of gambogic acid is 119.2.

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