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name Structure Reference Source Properties Activities Metabolism

methyl (1R,9R,10S,11R,12S,13R,19R)-11-(acetyloxy)-12-ethyl-8-methyl-20-oxa-8,16-diazahexacyclo[10.6.1.1¹⁰,¹³.0¹,⁹.0²,⁷.0¹⁶,¹⁹]icosa-2(7),3,5-triene-10-carboxylate

AlkaPlorer ID: AK398983

Synonym: None

IUPAC Name: methyl (1R,9R,10R,11S,12R,19R)-11-acetyloxy-12-ethyl-8-methyl-20-oxa-8,16-diazahexacyclo[10.6.1.110,13.01,9.02,7.016,19]icosa-2,4,6-triene-10-carboxylate

Structure

SMILES: CC[C@@]12C3CCN4CC[C@@]5(C6=CC=CC=C6N(C)[C@H]5[C@@](C(=O)OC)(O3)[C@H]1OC(C)=O)[C@@H]42

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InChI: InChI=1S/C24H30N2O5/c1-5-22-17-10-12-26-13-11-23(18(22)26)15-8-6-7-9-16(15)25(3)19(23)24(31-17,21(28)29-4)20(22)30-14(2)27/h6-9,17-20H,5,10-13H2,1-4H3/t17?,18-,19+,20-,22-,23+,24+/m0/s1

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InChIKey: HHQSRWIDLJYBKB-CEGOXWABSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Catharanthus ovalis Catharanthus Apocynaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 426.51300000000026

TPSA？: 68.31

MolLogP？: 1.8731

Number of H-Donors: 0

Number of H-Acceptors: 7

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information