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Chemical structure of Hypocrellin A

GC36282

Hypocrellin A

Also known as (12S,13R)-12-acetyl-9,13,17-trihydroxy-5,10,16,21-tetramethoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2(11),3(8),4(22),5,9,16,18(23),20-nonaene-7,19-dione

Hypocrellin A, a naturally occurring PKC inhibitor, has many biological and pharmacological properties, such as antitumour, antiviral, antibacterial, and antileishmanial activities

ChemicalCAS77029-83-5MW546.52FormulaC30H26O10
CAS number
77029-83-5
Molecular weight
546.52
Formula
C30H26O10
Solubility
DMF： 2mg/mL,DMSO： 3mg/mL,Ethanol： 0·3mg/mL
InChIKey
VANSZAOQCMTTPB-SETSBSEESA-N
Catalogue number
GC36282
Brand
GLPBIO
Computed properties PubChem CID 119305 · XLogP 4 · TPSA 149 Ų · H-bond donors 3
XLogP
4
TPSA
149 Ų
H-bond donors
3
H-bond acceptors
10
Rotatable bonds
5
Heavy atoms
40

SMILES CC(=O)[C@H]1C2=C3C4=C(C[C@@]1(C)O)C(=C(C5=C4C(=C6C3=C(C(=O)C=C6OC)C(=C2OC)O)C(=CC5=O)OC)O)OC

Computed descriptors from PubChem (CID 119305), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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