Aspochalasin I; 17-Deoxy

AlkaPlorer ID: AK289589

Synonym: Aspochalasin J

IUPAC Name: 6-hydroxy-10,14,15-trimethyl-17-(2-methylpropyl)-2-oxa-18-azatricyclo[10.7.0.01,16]nonadeca-4,10,13-triene-3,19-dione

Structure

SMILES: CC1=CC2C=C(C)C(C)C3C(CC(C)C)N=C(O)C23OC(=O)C=CC(O)CCC1

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InChI: InChI=1S/C24H35NO4/c1-14(2)11-20-22-17(5)16(4)13-18-12-15(3)7-6-8-19(26)9-10-21(27)29-24(18,22)23(28)25-20/h9-10,12-14,17-20,22,26H,6-8,11H2,1-5H3,(H,25,28)

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InChIKey: HXVGXVHKKDWYHZ-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 401.54700000000025

TPSA: 79.12

MolLogP: 4.528900000000004

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information