Voaphylline; (+)-form, 12-Methoxy

AlkaPlorer ID: AK317815

Synonym: 12-Methoxyvoaphylline

IUPAC Name: 15-ethyl-9-methoxy-17-oxa-1,11-diazapentacyclo[13.4.1.04,12.05,10.016,18]icosa-4(12),5(10),6,8-tetraene

Structure

SMILES: CCC12CCC3=C(CCN(CC4OC41)C2)C1=CC=CC(OC)=C1N3

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InChI: InChI=1S/C20H26N2O2/c1-3-20-9-7-15-13(8-10-22(12-20)11-17-19(20)24-17)14-5-4-6-16(23-2)18(14)21-15/h4-6,17,19,21H,3,7-12H2,1-2H3

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InChIKey: NQTJOYVQYNTTED-UHFFFAOYSA-N

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Reference

PubChem CID: 185758

CAS: 53904-98-6

COCONUT: CNP0302187.1

Source

Species Genus Family Order Class Phylum Kingdom Domain
None Crioceras Apocynaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 326.44000000000005

TPSA: 40.79

MolLogP: 3.1446000000000014

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information