Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D02KPV
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| Former ID |
DNC011488
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| Drug Name |
Phorbol 12,13-butyrate
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| Synonyms |
Phorbol 12,13-dibutyrate; PDBU; Phorbol dibutyrate; 37558-16-0; Phorbol 12,13-dibutanoate; UNII-67MX82CL58; Phorbol-12,13-dibutyrate; NSC 622507; CHEBI:17598; 67MX82CL58; (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulene-9,9a-diyl dibutanoate; Butanoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]be
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C28H40O8
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| Canonical SMILES |
CCCC(=O)OC1C(C2(C(C=C(CC3(C2C=C(C3=O)C)O)CO)C4C1(C4(C)C)OC(=O)CCC)O)C
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| InChI |
1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22-,24-,26-,27-,28-/m1/s1
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| InChIKey |
BQJRUJTZSGYBEZ-YVQNUNKESA-N
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| CAS Number |
CAS 37558-16-0
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:17598
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| References | Top | |||
|---|---|---|---|---|
| REF 1 | Conformationally constrained analogues of diacylglycerol (DAG). 28. DAG-dioxolanones reveal a new additional interaction site in the C1b domain of ... J Med Chem. 2007 Jul 26;50(15):3465-81. | |||
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