Zygosporin D; 18-Epimer, 17-deoxo

AlkaPlorer ID: AK318178

Synonym: Cytochalasin J, Deacetylcytochalasin H, Paspalin PII, Kodocytochalasin 2

IUPAC Name: 16-benzyl-2,5,12-trihydroxy-5,7,14-trimethyl-13-methylidene-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-18-one

Structure

SMILES: C=C1C(C)C2C(CC3=CC=CC=C3)NC(=O)C23C(O)C=CC(C)(O)CC(C)CC=CC3C1O

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InChI: InChI=1S/C28H37NO4/c1-17-9-8-12-21-25(31)19(3)18(2)24-22(15-20-10-6-5-7-11-20)29-26(32)28(21,24)23(30)13-14-27(4,33)16-17/h5-8,10-14,17-18,21-25,30-31,33H,3,9,15-16H2,1-2,4H3,(H,29,32)

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InChIKey: UKQNIEMKORIOQM-UHFFFAOYSA-N

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Reference

PubChem CID: 3555370

CAS: 53760-20-6

COCONUT: CNP0141082.4

Properties Information

Molecule Weight: 451.6070000000002

TPSA: 89.79

MolLogP: 3.1673000000000022

Number of H-Donors: 4

Number of H-Acceptors: 4

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information