Spermostrychnine; 11-Methoxy, 12-hydroxy

AlkaPlorer ID: AK313915

Synonym: 12-Hydroxy-11-methoxyspermostrychnine

IUPAC Name: 1-(9-hydroxy-8-methoxy-16-methyl-15-oxa-1,11-diazahexacyclo[15.3.1.04,12.04,20.05,10.013,18]henicosa-5(10),6,8-trien-11-yl)ethanone

Structure

SMILES: COC1=CC=C2C(=C1O)N(C(C)=O)C1C3COC(C)C4CN5CCC21C5CC43

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InChI: InChI=1S/C22H28N2O4/c1-11-14-9-23-7-6-22-16-4-5-17(27-3)20(26)19(16)24(12(2)25)21(22)15(10-28-11)13(14)8-18(22)23/h4-5,11,13-15,18,21,26H,6-10H2,1-3H3

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InChIKey: PGSRCUNPDYTDKP-UHFFFAOYSA-N

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Reference

PubChem CID: 163042973

COCONUT: CNP0324386.1

Source

Properties Information

Molecule Weight: 384.47600000000017

TPSA: 62.24

MolLogP: 2.1326

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information