Citreoindole; N22-Hydroxy 

AlkaPlorer ID: AK292578

Synonym: Haenamindole

IUPAC Name: 3-benzyl-1-hydroxy-6-[(10-hydroxy-4-oxo-2-phenyl-1,2,3,10a-tetrahydropyrimido[1,2-a]indol-10-yl)methyl]piperazine-2,5-dione

Structure

SMILES: O=C1NC(CC2=CC=CC=C2)C(=O)N(O)C1CC1(O)C2=CC=CC=C2N2C(=O)CC(C3=CC=CC=C3)NC21

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InChI: InChI=1S/C29H28N4O5/c34-25-16-21(19-11-5-2-6-12-19)31-28-29(37,20-13-7-8-14-23(20)32(25)28)17-24-26(35)30-22(27(36)33(24)38)15-18-9-3-1-4-10-18/h1-14,21-22,24,28,31,37-38H,15-17H2,(H,30,35)

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InChIKey: IAICBPZDIBCDOH-UHFFFAOYSA-N

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Reference

PubChem CID: 163136142

COCONUT: CNP0449154.2

Properties Information

Molecule Weight: 512.5660000000003

TPSA: 122.21

MolLogP: 1.999099999999999

Number of H-Donors: 4

Number of H-Acceptors: 6

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information