MetaADEDB 2.0 @ LMMD
Phorbol 12,13-Dibutyrate
(BQJRUJTZSGYBEZ-YVQNUNKESA-N)
Structure
SMILES
CCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@H]([C@H]3[C@]1(OC(=O)CCC)C3(C)C)C=C(C[C@]1([C@H]2C=C(C1=O)C)O)CO
Molecular Formula:
C28H40O8
Molecular Weight:
504.612
Log P:
2.6321
Hydrogen Bond Acceptor:
8
Hydrogen Bond Donor:
3
TPSA:
130.36
CAS Number(s):
37558-16-0; 61557-88-8
Synonym(s)
1.
Phorbol 12,13-Dibutyrate
2.
Phorbol-12,13-Dibutyrate
3.
12,13-Dibutyrate, Phorbol
4.
Phorbol 12,13 Dibutyrate
External Link(s)
MeSHD015240
PubChem Compound37783
ChEBI17598
CHEMBLCHEMBL27768
KEGGcpd:C03634
Therapeutic Target DatabaseD02KPV
ZINC4096162
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Pain16099101CTD
2Spasm21077946CTD
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