Przewalskine; 10'-Demethoxy, 13'-methoxy

AlkaPlorer ID: AK311367

Synonym: Thalmelatidine

IUPAC Name: 6-[[3,4-dimethoxy-5-[(1,2,3,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl)oxy]phenyl]methyl]-4-methoxy-7-methyl-8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isoquinoline

Structure

SMILES: COC1=CC2=C(C=C1OC1=CC(CC3C4=C(CCN3C)C3=C(OCO3)C(OC)=C4)=CC(OC)=C1OC)CC1C3=C(CCN1C)C(OC)=C(OC)C(OC)=C23

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InChI: InChI=1S/C42H48N2O10/c1-43-12-10-24-27(20-33(47-5)40-38(24)52-21-53-40)28(43)14-22-15-32(46-4)39(49-7)34(16-22)54-31-18-23-17-29-35-25(11-13-44(29)2)37(48-6)42(51-9)41(50-8)36(35)26(23)19-30(31)45-3/h15-16,18-20,28-29H,10-14,17,21H2,1-9H3

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InChIKey: DVMNMLUMROFKJQ-UHFFFAOYSA-N

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Reference

PubChem CID: 163044526

COCONUT: CNP0326370.1

Source

Properties Information

Molecule Weight: 740.8499999999999

TPSA: 98.78000000000002

MolLogP: 6.791600000000008

Number of H-Donors: 0

Number of H-Acceptors: 12

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information