Cryptaustoline; (±)-form

AlkaPlorer ID: AK293253

Synonym: None

IUPAC Name: 3,9,10-trimethoxy-7-methyl-5,6,12,12a-tetrahydroindolo[2,1-a]isoquinolin-7-ium-2-ol

Structure

SMILES: COC1=CC2=C(C=C1O)C1CC3=CC(OC)=C(OC)C=C3[N+]1(C)CC2

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InChI: InChI=1S/C20H23NO4/c1-21-6-5-12-8-18(23-2)17(22)10-14(12)16(21)7-13-9-19(24-3)20(25-4)11-15(13)21/h8-11,16H,5-7H2,1-4H3/p+1

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InChIKey: SZCMAXJHSXYEIZ-UHFFFAOYSA-O

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Reference

PubChem CID: 11762433

COCONUT: CNP0343604.1

Properties Information

Molecule Weight: 342.41500000000013

TPSA: 47.92

MolLogP: 3.2086000000000023

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information