14-Hydroxyisotylocrebrine

AlkaPlorer ID: AK002862

Synonym: None

IUPAC Name: (13aR)-3,4,6,7-tetramethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-14-ol

Structure

SMILES: COC1=C(C2=C(C=C1)C3=C(CN4CCC[C@@H]4C3O)C5=CC(=C(C=C52)OC)OC)OC

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InChI: InChI=1S/C24H27NO5/c1-27-18-8-7-13-21-16(12-25-9-5-6-17(25)23(21)26)14-10-19(28-2)20(29-3)11-15(14)22(13)24(18)30-4/h7-8,10-11,17,23,26H,5-6,9,12H2,1-4H3/t17-,23?/m1/s1

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InChIKey: MGVIWPMJQXPEDE-LIXIDFRTSA-N

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Source

Properties Information

Molecule Weight: 409.48200000000014

TPSA: 60.390000000000015

MolLogP: 4.038800000000003

Number of H-Donors: 1

Number of H-Acceptors: 6

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information