Hetisinone
AlkaPlorer ID: AK131631
Synonym: '2-Dehydrohetisine'
IUPAC Name: (1S,5R,8R,9S,10R,11R,14R,16S,17R,18R,19S)-10,19-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-3-one
Structure
SMILES: C=C1C[C@@]23C[C@H]4[C@@H]5[C@@]6(C)CC(=O)C[C@@]57[C@@H]2[C@H](O)[C@@H]1[C@H](O)[C@@H]3[C@H]7N4C6
InChI: InChI=1S/C20H25NO3/c1-8-3-19-6-10-15-18(2)4-9(22)5-20(15)16(19)14(24)11(8)13(23)12(19)17(20)21(10)7-18/h10-17,23-24H,1,3-7H2,2H3/t10-,11-,12+,13-,14+,15+,16+,17+,18-,19-,20-/m0/s1
InChIKey: WCGQPPIMPLNHFG-DINXPKITSA-N
Reference
Three New C19-Diterpenoid Alkaloids from Delphinium occidentale S. Wats.
PubChem CID: 131879709
LOTUS: LTS0056570
SuperNatural Ⅲ: SN0406425-05
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Delphinium fissum | Delphinium | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 327.42400000000004
TPSA？: 60.77
MolLogP？: 0.9722
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|