Narcotinediol; 13-Deoxy

AlkaPlorer ID: AK307436

Synonym: Macrantaline

IUPAC Name: [2,3-dimethoxy-6-[(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]phenyl]methanol

Structure

SMILES: COC1=CC=C(CC2C3=C(OC)C4=C(C=C3CCN2C)OCO4)C(CO)=C1OC

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InChI: InChI=1S/C22H27NO6/c1-23-8-7-14-10-18-21(29-12-28-18)22(27-4)19(14)16(23)9-13-5-6-17(25-2)20(26-3)15(13)11-24/h5-6,10,16,24H,7-9,11-12H2,1-4H3

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InChIKey: UYVPKNMJIKNYPY-UHFFFAOYSA-N

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Source

Properties Information

Molecule Weight: 401.4590000000002

TPSA: 69.62

MolLogP: 2.7051000000000007

Number of H-Donors: 1

Number of H-Acceptors: 7

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information