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Gossypol acetic acid

CAT: 1410-M11030-01Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M11030-01Size:1 mL x 10 mM in DMSO
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Description
Gossypol acetic acid ((±) -Gossypol acetic acid) is a natural phenol that permeates cells and acts as an inhibitor.
CAS Number
12542-36-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
578.6064
Molecular Formula
C32H34O10
Notes
Research use only, not for human use.
Receptor
Bcl-2

Chemical Information

Gossypol Acetic Acid

Gossypol Acetic Acid is the naturally occurring acetic acid form of gossypol, and an orally available polyphenolic aldehyde derived mostly from cottonseed with potential antineoplastic activity. The biologic activities of gossypol acetic acid are similar to those of gossypol and include suppression of DNA replication, inhibition of tumor cell proliferation, and male contraceptive effects. (NCI04)

CAS Number12542-36-8
PubChem CID227456
IUPAC Nameacetic acid;7-(8-formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde
Molecular FormulaC32H34O10
Molecular Weight578.6
Topological Polar Surface Area193
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count42
Formal Charge0
Complexity811
SMILES
CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=O)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C=O)O)O)C(C)C)O)O.CC(=O)O
InChI
InChI=1S/C30H30O8.C2H4O2/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36;1-2(3)4/h7-12,33-38H,1-6H3;1H3,(H,3,4)
InChIKey
NIOHNDKHQHVLKA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Gossypol Acetic Acid
CAS: 12542-36-8
CID: 227456
Formula: C32H34O10
MW: 578.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight578.6
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass578.21519728
Monoisotopic Mass578.21519728
Topological Polar Surface Area193 Ų
Heavy Atom Count42
Formal Charge0
Complexity811
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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HY-15464D-01(S) -Gossypol (acetic acid)
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