Hetisine
AlkaPlorer ID: AK018247
Synonym: 'Hetisine', 'NSC 295656', 'Delatine'
IUPAC Name: (1S,3S,5R,8R,9S,10S,11R,14R,16S,17R,18R,19S)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecane-3,10,19-triol
Structure
SMILES: C=C1C[C@@]23C[C@H]4[C@@H]5[C@@]6(C)C[C@H](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/C20H27NO3/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/h9-17,22-24H,1,3-7H2,2H3/t9-,10-,11-,12+,13+,14+,15+,16+,17+,18-,19-,20-/m0/s1
InChIKey: PIWJSAMCEMZIDO-LSQMAHDWSA-N
Reference
Alkaloids from the aerial parts of Consolida anthoroidea and Delphinium linearilobum
PubChem CID: 162868282
LOTUS: LTS0043369
SuperNatural Ⅲ: SN0286603-08
NPASS: NPC264881
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus insuetus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 329.44000000000005
TPSA？: 63.93
MolLogP？: 0.7639999999999998
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|