Cardionine
AlkaPlorer ID: AK033285
Synonym: ''
IUPAC Name: [(1R,5R,8R,9S,11S,13R,14R,16R,17R,18S,19R)-11,16,19-trihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-13-yl] 2-methylpropanoate
Structure
SMILES: C=C1[C@H](OC(=O)C(C)C)[C@@]23C[C@@]4(O)[C@@H]5[C@@]6(C)CCC[C@@]57[C@@H]2[C@@H](O)[C@]1(O)C[C@@H]3[C@H]7N4C6
InChI: InChI=1S/C24H33NO5/c1-11(2)18(27)30-17-12(3)23(28)8-13-15-21-7-5-6-20(4)10-25(15)24(29,19(20)21)9-22(13,17)14(21)16(23)26/h11,13-17,19,26,28-29H,3,5-10H2,1-2,4H3/t13-,14+,15-,16-,17+,19-,20+,21+,22-,23+,24-/m1/s1
InChIKey: XSDJVVZNKHIOBC-PRVJHFKZSA-N
Reference
Five diterpenoid alkaloids from Delphinium cardiopetalum
PubChem CID: 162851797
LOTUS: LTS0127934
SuperNatural Ⅲ: SN0438630-03
NPASS: NPC70081
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Abies holophylla | Abies | Pinaceae | Pinales | Pinopsida | Streptophyta | Viridiplantae | Eukaryota |
| Jatropha gossypiifolia | Jatropha | Euphorbiaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 415.53000000000014
TPSA？: 90.23
MolLogP？: 1.4349999999999998
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|