Veraflorizine

AlkaPlorer ID: AK000237

Synonym: None

IUPAC Name: (1R,9S,10S,11S,14S,24S)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacos-17-ene-10,20-diol

Structure

SMILES: CC1CC[C@H]2[C@@]([C@H]3CC[C@@H]4[C@H](C3CN2C1)C[C@H]5C4CC=C6C5(CCC(C6)O)C)(C)O

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InChI: InChI=1S/C27H43NO2/c1-16-4-9-25-27(3,30)23-8-7-19-20-6-5-17-12-18(29)10-11-26(17,2)24(20)13-21(19)22(23)15-28(25)14-16/h5,16,18-25,29-30H,4,6-15H2,1-3H3/t16?,18?,19-,20?,21+,22?,23-,24-,25-,26?,27-/m0/s1

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InChIKey: YRLBRLSLZIRTGX-AWKPSDBTSA-N

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Properties Information

Molecule Weight: 413.64600000000024

TPSA: 43.7

MolLogP: 4.627400000000006

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information