Acybolins; Acybolin I, 5-Deoxy

AlkaPlorer ID: AK283257

Synonym: Acybolin C

IUPAC Name: None

Structure

SMILES: CCCCCCCC(O)CC(=O)NCC(=O)NC(C)C(=O)NCC(=O)NC(C)C(=O)NC(C)C(=O)NC1C2CC(O)CC(O)=C2C(=O)OC1(C)C(Cl)Cl

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InChI: InChI=1S/C34H54Cl2N6O11/c1-6-7-8-9-10-11-20(43)14-24(46)37-15-25(47)39-17(2)29(49)38-16-26(48)40-18(3)30(50)41-19(4)31(51)42-28-22-12-21(44)13-23(45)27(22)32(52)53-34(28,5)33(35)36/h17-22,28,33,43-45H,6-16H2,1-5H3,(H,37,46)(H,38,49)(H,39,47)(H,40,48)(H,41,50)(H,42,51)

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InChIKey: RXBUVDREZNEUEZ-UHFFFAOYSA-N

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Reference

CAS: 1962998-03-3

Properties Information

Molecule Weight: 793.7430000000002

TPSA: 261.59

MolLogP: 0.0314000000000082

Number of H-Donors: 9

Number of H-Acceptors: 11

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information