Aspidospermiose

AlkaPlorer ID: AK028587

Synonym: ''

IUPAC Name: (2R,4S,5R,6S)-6-[(1S,9S,12S,19S)-12-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6-trien-8-yl]-2,4,5-trihydroxyoxan-3-one

Structure

SMILES: CC[C@]12CCCN3CC[C@@]4(C5=CC=CC=C5N([C@H]5O[C@@H](O)C(=O)[C@@H](O)[C@H]5O)[C@H]4CC1)[C@@H]32

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InChI: InChI=1S/C24H32N2O5/c1-2-23-9-5-12-25-13-11-24(22(23)25)14-6-3-4-7-15(14)26(16(24)8-10-23)20-18(28)17(27)19(29)21(30)31-20/h3-4,6-7,16-18,20-22,27-28,30H,2,5,8-13H2,1H3/t16-,17-,18+,20-,21+,22-,23-,24-/m0/s1

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InChIKey: KGEHNJICKPDDOV-PNSGESOASA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Rhazya stricta Rhazya Apocynaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 428.5290000000002

TPSA: 93.47

MolLogP: 1.1368999999999994

Number of H-Donors: 3

Number of H-Acceptors: 7

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information