9,10-Dihydroxy-2,3-dimethoxytetrahydroprotoberberine; (ξ)-form, O2-De-Me 

AlkaPlorer ID: AK270711

Synonym: 2,9,10-Trihydroxy-3-methoxytetrahydroprotoberberine

IUPAC Name: 3-methoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,9,10-triol

Structure

SMILES: COC1=CC2=C(C=C1O)C1CC3=C(CN1CC2)C(O)=C(O)C=C3

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InChI: InChI=1S/C18H19NO4/c1-23-17-7-11-4-5-19-9-13-10(2-3-15(20)18(13)22)6-14(19)12(11)8-16(17)21/h2-3,7-8,14,20-22H,4-6,9H2,1H3

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InChIKey: LMCDPTITCNKVNR-UHFFFAOYSA-N

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Source

Properties Information

Molecule Weight: 313.35299999999995

TPSA: 73.16000000000001

MolLogP: 2.467500000000001

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information