6-[(6S,7S,7aS)-6-hydroxy-1-methyl-2,3,5,6,7,7a-hexahydroindol-7-yl]-2,3,4-trimethoxybenzaldehyde

AlkaPlorer ID: AK067807

Synonym: None

IUPAC Name: 6-[(6S,7S,7aS)-6-hydroxy-1-methyl-2,3,5,6,7,7a-hexahydroindol-7-yl]-2,3,4-trimethoxybenzaldehyde

Structure

SMILES: COC1=CC([C@H]2[C@H]3C(=CC[C@@H]2O)CCN3C)=C(C=O)C(OC)=C1OC

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InChI: InChI=1S/C19H25NO5/c1-20-8-7-11-5-6-14(22)16(17(11)20)12-9-15(23-2)19(25-4)18(24-3)13(12)10-21/h5,9-10,14,16-17,22H,6-8H2,1-4H3/t14-,16+,17+/m0/s1

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InChIKey: KQGUTTVDQZKMQP-USXIJHARSA-N

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Source

Properties Information

Molecule Weight: 347.4110000000001

TPSA: 68.23

MolLogP: 2.0036

Number of H-Donors: 1

Number of H-Acceptors: 6

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information