5,6,7-Isoquinolinetriol; 3,4-Dihydro, tri-Me ether

AlkaPlorer ID: AK229389

Synonym: 3,4-Dihydro-5,6,7-trimethoxyisoquinoline, Dehydronortehaunine

IUPAC Name: 5,6,7-trimethoxy-3,4-dihydroisoquinoline

Structure

SMILES: COC1=CC2=C(CCN=C2)C(OC)=C1OC

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InChI: InChI=1S/C12H15NO3/c1-14-10-6-8-7-13-5-4-9(8)11(15-2)12(10)16-3/h6-7H,4-5H2,1-3H3

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InChIKey: QCIAIYMGNOEHFW-UHFFFAOYSA-N

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Reference

PubChem CID: 4739419

SuperNatural Ⅲ: SN0301525

NPASS: NPC36587

COCONUT: CNP0289006

Properties Information

Molecule Weight: 221.256

TPSA: 40.05

MolLogP: 1.6874

Number of H-Donors: 0

Number of H-Acceptors: 4

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information