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Garcinol (benzophenone)

Garcinol (benzophenone) structure

CAS No:
78824-30-3
Formula:
C38H50O6
Chemical Name:
Garcinol (benzophenone)
Synonyms:
Bicyclo[3.3.1]non-3-ene-2,9-dione,3-(3,4-dihydroxybenzoyl)-4-hydroxy-8,8-dimethyl-1,7-bis(3-methyl-2-buten-1-yl)-5-[(2S)-5-methyl-2-(1-methylethenyl)-4-hexen-1-yl]-,(1R,5R,7R)-;Bicyclo[3.3.1]non-3-ene-2,9-dione,3-(3,4-dihydroxybenzoyl)-4-hydroxy-8,8-dimethyl-1,7-bis(3-methyl-2-butenyl)-5-[5-methyl-2-(1-methylethenyl)-4-hexenyl]-,[1R-[1α,5α,5(S*),7β]]-;Bicyclo[3.3.1]non-3-ene-2,9-dione,3-(3,4-dihydroxybenzoyl)-4-hydroxy-8,8-dimethyl-1,7-bis(3-methyl-2-butenyl)-5-[(2S)-5-methyl-2-(1-methylethenyl)-4-hexenyl]-,(1R,5R,7R)-;(1R,5R,7R)-3-(3,4-Dihydroxybenzoyl)-4-hydroxy-8,8-dimethyl-1,7-bis(3-methyl-2-buten-1-yl)-5-[(2S)-5-methyl-2-(1-methylethenyl)-4-hexen-1-yl]bicyclo[3.3.1]non-3-ene-2,9-dione;Garcinol;Garcinol (benzophenone)
Categories:
Natural Products > Phenols

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Garcinol (benzophenone) Basic Attributes

Molecular Weight：

602.8

Exact Mass：

602.80

EC Number：

200-258-5

Characteristics

PSA：

112 Å²

Density：

1.114±0.06 g/cm3

Melting Point：

132 °C

Boiling Point：

710.8±60.0 °C(Predicted)

PKA：

4.50±1.00

Drug Information

MeSH Entry Terms：

cambogin

Garcinol (benzophenone) Use and Manufacturing

Garcinol is an inhibitor of the histone acetyltransferases (HATs) p300 and PCAF (IC50 = 7 and 5 μM, respectively). It also inhibits the HAT GCN5 in Cryptococcus neoformans, inducing temperature sensitivity and impairing growth. A polyisoprenylated benzophenone isolated from Garcinia indica, garcinol promotes neurogenesis and ex vivo expansion of human hematopoietic stem cells. Moreover, it induces apoptosis in several types of cancer cells and has anti-inflammatory actions.

Computed Properties

Molecular Weight:602.8
XLogP3:10.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:10
Exact Mass:602.36073931
Monoisotopic Mass:602.36073931
Topological Polar Surface Area:112
Heavy Atom Count:44
Complexity:1300
Defined Atom Stereocenter Count:4
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Garcinol

CAS No.: 78824-30-3

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