Petchicine
AlkaPlorer ID: AK309856
Synonym: None
IUPAC Name: methyl 18-(1-hydroxyethyl)-2-oxa-6,16-diazahexacyclo[14.3.1.03,18.05,13.07,12.013,17]icosa-4,7,9,11-tetraene-4-carboxylate
Structure
SMILES: COC(=O)C1=C2NC3=CC=CC=C3C23CCN2CC4CC(C(C)O)(C1O4)C23
InChI: InChI=1S/C21H24N2O4/c1-11(24)21-9-12-10-23-8-7-20(19(21)23)13-5-3-4-6-14(13)22-16(20)15(17(21)27-12)18(25)26-2/h3-6,11-12,17,19,22,24H,7-10H2,1-2H3
InChIKey: FJFAFXAJZWYPPQ-UHFFFAOYSA-N
Reference
Alkaloids of Petchia ceylanica
PubChem CID: 163023926
CAS: 125547-41-3
LOTUS: LTS0235819
COCONUT: CNP0301089.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Petchia ceylanica | Petchia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 368.4330000000001
TPSA？: 71.03
MolLogP？: 1.4031999999999996
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|