4'-O-Methylstephavanine

AlkaPlorer ID: AK380692

Synonym: None

IUPAC Name: [(11R,15S,16S)-15-hydroxy-14-methoxy-5,7,21-trioxa-20-azahexacyclo[11.4.3.111,14.01,13.02,10.04,8]henicosa-2,4(8),9-trien-16-yl] 3,4-dimethoxybenzoate

Structure

SMILES: COC1=CC=C(C(=O)O[C@H]2CC34CCNC35C[C@@H](OC5(OC)[C@H]2O)C2=CC3=C(C=C24)OCO3)C=C1OC

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InChI: InChI=1S/C27H29NO9/c1-31-17-5-4-14(8-18(17)32-2)24(30)36-22-11-25-6-7-28-26(25)12-21(37-27(26,33-3)23(22)29)15-9-19-20(10-16(15)25)35-13-34-19/h4-5,8-10,21-23,28-29H,6-7,11-13H2,1-3H3/t21-,22+,23+,25?,26?,27?/m1/s1

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InChIKey: FQTGWQFUPQBOJP-UHPCZMERSA-N

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Source

Properties Information

Molecule Weight: 511.5270000000003

TPSA: 113.94000000000004

MolLogP: 2.2103

Number of H-Donors: 2

Number of H-Acceptors: 10

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information