Narcotinediol; 13-Deoxy, 8-carboxylic acid

AlkaPlorer ID: AK270324

Synonym: Macrantoridine

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

Structure

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

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InChI: InChI=1S/C22H25NO7/c1-23-8-7-13-10-16-20(30-11-29-16)21(28-4)17(13)14(23)9-12-5-6-15(26-2)19(27-3)18(12)22(24)25/h5-6,10,14H,7-9,11H2,1-4H3,(H,24,25)

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InChIKey: REAJHAFEOXIXJD-UHFFFAOYSA-N

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Source

Properties Information

Molecule Weight: 415.4420000000002

TPSA: 86.69000000000001

MolLogP: 2.9110000000000005

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