Hypognavine
AlkaPlorer ID: AK070939
Synonym: ''
IUPAC Name: [(1R,2S,3S,5R,8R,9S,11S,13R,14S,16S,17R,18S)-2,13,18-trihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-3-yl] benzoate
Structure
SMILES: C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)C[C@H](OC(=O)C7=CC=CC=C7)[C@@H](O)[C@@]47[C@@H]6[C@@H]5C[C@]3([C@@H]1O)[C@@]7(O)C2
InChI: InChI=1S/C27H31NO5/c1-13-15-8-16-20-27-19-17(10-25(16,21(13)29)26(27,32)9-15)28(20)12-24(19,2)11-18(22(27)30)33-23(31)14-6-4-3-5-7-14/h3-7,15-22,29-30,32H,1,8-12H2,2H3/t15-,16+,17-,18-,19+,20+,21+,22+,24-,25-,26-,27+/m0/s1
InChIKey: BYXPUNYKMOQXSI-IYNWUZCWSA-N
Reference
On the Alkaloidal Constituents of Aconitum sanyoense NAKAI var. tonense NAKAI.
PubChem CID: 163059549
LOTUS: LTS0114149
SuperNatural Ⅲ: SN0039272-03
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum sanyoense | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 449.5470000000002
TPSA？: 90.23
MolLogP？: 1.7435999999999998
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|