(1R,5R,8S,9S,10R,11S,14R,18R,19S)-10-hydroxy-5,7-dimethyl-12-methylidene-16-oxa-7-azahexacyclo[9.7.2.0¹,⁸.0⁵,¹⁸.0⁹,¹⁴.0¹⁴,¹⁹]icosane-3,15,17-trione
AlkaPlorer ID: AK470802
Synonym: None
IUPAC Name: 10-hydroxy-5,7-dimethyl-12-methylidene-16-oxa-7-azahexacyclo[9.7.2.01,8.05,18.09,14.014,19]icosane-3,15,17-trione
Structure
SMILES: C=C1CC23C(=O)OC(=O)C4C5(C)CC(=O)CC46C(C2C(O)C1CC36)N(C)C5
InChI: InChI=1S/C21H25NO5/c1-9-5-20-12-4-11(9)14(24)13(20)16-21(12)7-10(23)6-19(2,8-22(16)3)15(21)17(25)27-18(20)26/h11-16,24H,1,4-8H2,2-3H3
InChIKey: NRVPTPWNYPSGNM-UHFFFAOYSA-N
Reference
Cardionide, an Unusual C-20 Diterpenoid Alkaloid from Delphinium Cardiopetalum DC
PubChem CID: 163058837
CAS: 142609-18-5
LOTUS: LTS0214694
COCONUT: CNP0346568.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Delphinium verdunense | Delphinium | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 371.4330000000001
TPSA？: 83.91
MolLogP？: 0.9287
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|