Molecule

Hetisine

AlkaPlorer ID: AK018246

Synonym: 'Hetisine', 'NSC 295656', 'Delatine'

IUPAC Name: (1S,3S,5R,8R,9S,10R,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-APRJJLODSA-N

Reference

181. Delphinium alkaloids. Part III. Delpheline

PubChem CID: 86567874

LOTUS: LTS0135618

SuperNatural Ⅲ: SN0286603-01

NPASS: NPC64282

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Staphisagria macrosperma	Staphisagria	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Streptomyces virens	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria
Streptomyces aureoverticillatus	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria

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