Hetisinone
AlkaPlorer ID: AK131632
Synonym: '2-Dehydrohetisine'
IUPAC Name: (5R,10R,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=C1CC23CC4C5C67CC(=O)C[C@@]5(C)CN4C6C2[C@@H](O)C1[C@@H](O)C37
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-KZZIEOHUSA-N
Reference
Norditerpenoid alkaloids from Delphinium peregrinum var. elongatum
PubChem CID: 5318032
LOTUS: LTS0211686
NPASS: NPC69662
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Delphinium tatsienense | Delphinium | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Aconitum heterophyllum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Aconitum tanguticum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 327.424
TPSA？: 60.77000000000001
MolLogP？: 0.9722000000000002
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|