Aspergilazine A

AlkaPlorer ID: AK289462

Synonym: None

IUPAC Name: None

Structure

SMILES: O=C1NC(CC2=CNC3=C(N4C=C(CC5NC(=O)C6CCCN6C5=O)C5=CC=CC=C54)C=CC=C23)C(=O)N2CCCC12

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InChI: InChI=1S/C32H32N6O4/c39-29-26-10-4-12-36(26)31(41)22(34-29)14-18-16-33-28-21(18)7-3-9-25(28)38-17-19(20-6-1-2-8-24(20)38)15-23-32(42)37-13-5-11-27(37)30(40)35-23/h1-3,6-9,16-17,22-23,26-27,33H,4-5,10-15H2,(H,34,39)(H,35,40)

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InChIKey: SZEKXABIBXMWRE-UHFFFAOYSA-N

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Reference

CAS: 1374348-96-5

Properties Information

Molecule Weight: 564.6460000000002

TPSA: 119.53999999999998

MolLogP: 2.1756

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information