Ochotensimine

AlkaPlorer ID: AK079728

Synonym: ''

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

Structure

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

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InChI: InChI=1S/C22H23NO4/c1-13-15-5-6-18-21(27-12-26-18)16(15)11-22(13)17-10-20(25-4)19(24-3)9-14(17)7-8-23(22)2/h5-6,9-10H,1,7-8,11-12H2,2-4H3/t22-/m0/s1

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InChIKey: JRHBRSNGMLYULO-QFIPXVFZSA-N

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Properties Information

Molecule Weight: 365.42900000000014

TPSA: 40.16

MolLogP: 3.385200000000002

Number of H-Donors: 0

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information