Acybolins; Acybolin I

AlkaPlorer ID: AK283256

Synonym: None

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)NC1C2C(=C(O)CC(O)C2O)C(=O)OC1(C)C(Cl)Cl

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InChI: InChI=1S/C34H54Cl2N6O12/c1-6-7-8-9-10-11-19(43)12-22(46)37-14-23(47)39-16(2)29(50)38-15-24(48)40-17(3)30(51)41-18(4)31(52)42-28-26-25(20(44)13-21(45)27(26)49)32(53)54-34(28,5)33(35)36/h16-19,21,26-28,33,43-45,49H,6-15H2,1-5H3,(H,37,46)(H,38,50)(H,39,47)(H,40,48)(H,41,51)(H,42,52)

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InChIKey: NBBADPXDZLBKTB-UHFFFAOYSA-N

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Reference

CAS: 1962998-11-3

Properties Information

Molecule Weight: 809.7420000000003

TPSA: 281.82

MolLogP: -0.9977999999999922

Number of H-Donors: 10

Number of H-Acceptors: 12

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information