Nangustine; 4-Me ether

AlkaPlorer ID: AK307339

Synonym: 4-O-Methylnangustine 

IUPAC Name: None

Structure

SMILES: COC1C(O)CC=C2C3CN(CC4=CC5=C(C=C43)OCO5)C21

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InChI: InChI=1S/C17H19NO4/c1-20-17-13(19)3-2-10-12-7-18(16(10)17)6-9-4-14-15(5-11(9)12)22-8-21-14/h2,4-5,12-13,16-17,19H,3,6-8H2,1H3

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InChIKey: GNFWHIIHHNOQMS-UHFFFAOYSA-N

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Reference

CAS: 1904666-88-1

Source

Properties Information

Molecule Weight: 301.34200000000004

TPSA: 51.16000000000001

MolLogP: 1.4027

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information