Cadamine; 19-Epimer
AlkaPlorer ID: AK263485
Synonym: Isocadamine
IUPAC Name: methyl 14-(hydroxymethyl)-3,13,17-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,17,19-heptaene-19-carboxylate
Structure
SMILES: COC(=O)C1=CN=CC2=C1CC1C3=C(CCN1C2CO)C1=CC=CC=C1N3
InChI: InChI=1S/C21H21N3O3/c1-27-21(26)16-10-22-9-15-14(16)8-18-20-13(6-7-24(18)19(15)11-25)12-4-2-3-5-17(12)23-20/h2-5,9-10,18-19,23,25H,6-8,11H2,1H3
InChIKey: SIZFHMVDXZLUER-UHFFFAOYSA-N
Reference
NMR Spectral Analysis of Cadambine from Anthocephalus chinensis
PubChem CID: 73657079
CAS: 60723-52-6
LOTUS: LTS0011145
COCONUT: CNP0128956
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ochreinauclea maingayi | Ochreinauclea | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 363.417
TPSA？: 78.44999999999999
MolLogP？: 2.5384
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|