Dihydrochelerythrine; 8-Butoxy

AlkaPlorer ID: AK295644

Synonym: 8-Butoxydihydrochelerythrine

IUPAC Name: 13-butoxy-1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridine

Structure

SMILES: CCCCOC1C2=C(OC)C(OC)=CC=C2C2=C(C3=CC4=C(C=C3C=C2)OCO4)N1C

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InChI: InChI=1S/C25H27NO5/c1-5-6-11-29-25-22-16(9-10-19(27-3)24(22)28-4)17-8-7-15-12-20-21(31-14-30-20)13-18(15)23(17)26(25)2/h7-10,12-13,25H,5-6,11,14H2,1-4H3

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InChIKey: LWBDYAJQTBSCET-UHFFFAOYSA-N

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Source

Properties Information

Molecule Weight: 421.49300000000017

TPSA: 49.39000000000001

MolLogP: 5.517800000000006

Number of H-Donors: 0

Number of H-Acceptors: 6

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information