Imbiline 1; 9-Methoxy

AlkaPlorer ID: AK266139

Synonym: Imbiline 3

IUPAC Name: 5,8-dimethoxy-10-methyl-10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,8,13(17),14-heptaene-11,12-dione

Structure

SMILES: COC1=CC=C2C(=C1)C(OC)=C1C3=C(C=CN=C32)C(=O)C(=O)N1C

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InChI: InChI=1S/C18H14N2O4/c1-20-15-13-11(16(21)18(20)22)6-7-19-14(13)10-5-4-9(23-2)8-12(10)17(15)24-3/h4-8H,1-3H3

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InChIKey: XISBOSGBWCHVLA-UHFFFAOYSA-N

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Reference

PubChem CID: 15742443

SuperNatural Ⅲ: SN0431286

COCONUT: CNP0239946

Properties Information

Molecule Weight: 322.32000000000005

TPSA: 68.73

MolLogP: 2.5643

Number of H-Donors: 0

Number of H-Acceptors: 5

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information