Lepenine
AlkaPlorer ID: AK074258
Synonym: '', '11alpha-Hydroxylepenine'
IUPAC Name: (1R,2S,5R,8R,9R,10S,11R,13R,14S,15R,16R)-7-ethyl-5-methyl-12-methylidene-7-azahexacyclo[7.6.2.210,13.01,8.05,16.010,15]nonadecane-2,11,14-triol
Structure
SMILES: C=C1[C@H]2CC[C@@]3([C@@H]1O)[C@@H]([C@H]2O)[C@]12[C@@H]4C[C@H]3[C@H]1N(CC)C[C@]4(C)CC[C@@H]2O
InChI: InChI=1S/C22H33NO3/c1-4-23-10-20(3)7-6-15(24)22-14(20)9-13(18(22)23)21-8-5-12(11(2)19(21)26)16(25)17(21)22/h12-19,24-26H,2,4-10H2,1,3H3/t12-,13+,14-,15+,16+,17-,18-,19-,20+,21+,22-/m1/s1
InChIKey: DHFGSUNKOXDUNF-ORHDGNPGSA-N
Reference
Diterpenoid Alkaloids from <i>Aconitum leucostomum</i>
PubChem CID: 162848245
LOTUS: LTS0110073
SuperNatural Ⅲ: SN0065676-07
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum barbatum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 359.51000000000016
TPSA？: 63.93000000000001
MolLogP？: 1.7917999999999998
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|