Imbiline 1; 11-Hydroxy

AlkaPlorer ID: AK268375

Synonym: Imbiline 2

IUPAC Name: 8-methoxy-10-methyl-10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,4,6,8,13(17),14-hexaene-3,11,12-trione

Structure

SMILES: COC1=C2C3=C(C=CN=C3C3=C(O)C=CC=C13)C(=O)C(=O)N2C

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InChI: InChI=1S/C17H12N2O4/c1-19-14-12-8(15(21)17(19)22)6-7-18-13(12)11-9(16(14)23-2)4-3-5-10(11)20/h3-7,20H,1-2H3

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InChIKey: ZMQBRASCENYESU-UHFFFAOYSA-N

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Reference

SuperNatural Ⅲ: SN0474524

COCONUT: CNP0280912

Properties Information

Molecule Weight: 308.29300000000006

TPSA: 79.73

MolLogP: 2.2613000000000003

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information