Ochotensine

AlkaPlorer ID: AK038797

Synonym: '', 'Ochotensine'

IUPAC Name: (1S)-7-methoxy-2-methyl-6'-methylidenespiro[3,4-dihydroisoquinoline-1,7'-8H-cyclopenta[g][1,3]benzodioxole]-6-ol

Structure

SMILES: C=C1C2=CC=C3OCOC3=C2C[C@@]12C1=CC(OC)=C(O)C=C1CCN2C

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InChI: InChI=1S/C21H21NO4/c1-12-14-4-5-18-20(26-11-25-18)15(14)10-21(12)16-9-19(24-3)17(23)8-13(16)6-7-22(21)2/h4-5,8-9,23H,1,6-7,10-11H2,2-3H3/t21-/m0/s1

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InChIKey: MDAWGFZRYVVBAS-NRFANRHFSA-N

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Properties Information

Molecule Weight: 351.4020000000001

TPSA: 51.16

MolLogP: 3.082200000000001

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