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Substance Name: Gambogic acid
RN: 2752-65-0
UNII: 8N585K83U2
InChIKey: GEZHEQNLKAOMCA-RRZNCOCZSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C38-H44-O8

Molecular Weight

  • 628.7576
 
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Names and Synonyms

Name of Substance

  • Gambogic acid

Synonyms

  • B''-Guttiferin
  • beta-Guttiferin
  • Cambogic acid
  • UNII-8N585K83U2

Systematic Name

  • 1,5-Methano-1H,3H,11H-furo(3,4-g)pyrano(3,2-b)xanthene-1-crotonic acid, 3a,4,5,7-tetrahydro-8-hydroxy-alpha,3,3,11-tetramethyl-13-(3-methyl-2-butenyl)-11-(4-methyl-3-pentenyl)-7,15-dioxo-, (Z)-

Registry Numbers

CAS Registry Number

  • 2752-65-0

FDA UNII

  • 8N585K83U2

System Generated Number

  • 0002752650

Structure Descriptors

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

InChIKey

GEZHEQNLKAOMCA-RRZNCOCZSA-N

Smiles

CC(=CCC[C@@]1(C)Oc2c(CC=C(C)C)c3O[C@@]45[C@H]6C[C@@H](C=C4C(=O)c3c(O)c2C=C1)C(=O)[C@]5(C\C=C(\C)/C(=O)O)OC6(C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 55mg/kg (55mg/kg)   "Zhongliu Yanjiu" Cancer Review, Yu, R., et al., eds., Shanghai Science/Technology Publisher,Peop. Rep. China, 1994Vol. -, Pg. 220, 1994.
mouse LD50 subcutaneous 354mg/kg (354mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 8(1), Pg. 331, 1982.
rat LD50 intraperitoneal 88mg/kg (88mg/kg) LIVER: OTHER CHANGES Indian Journal of Experimental Biology. Vol. 5, Pg. 96, 1967.
rat LD50 intravenous 107mg/kg (107mg/kg) LIVER: OTHER CHANGES Indian Journal of Experimental Biology. Vol. 5, Pg. 96, 1967.