Isohypognavine
AlkaPlorer ID: AK109898
Synonym: 'Isohypognavinol 2-benzoate'
IUPAC Name: [(1S,3S,5R,8R,9S,11R,13R,14R,16S,17R,18S,19S)-13,19-dihydroxy-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[C@]47[C@H]([C@H]2O)[C@]3(C[C@H]5[C@H]67)[C@@H]1O
InChI: InChI=1S/C27H31NO4/c1-13-16-8-17-22-27-10-15(32-24(31)14-6-4-3-5-7-14)9-25(2)12-28(22)18(20(25)27)11-26(17,23(13)30)21(27)19(16)29/h3-7,15-23,29-30H,1,8-12H2,2H3/t15-,16+,17+,18-,19-,20+,21+,22+,23+,25-,26+,27-/m0/s1
InChIKey: AHJYUWVTHMSHBB-LAFOVSIUSA-N
Reference
On the Alkaloids of Aconitum japonicum THUNB. collected at Mt. Takao (Tokyo)
PubChem CID: 162910631
LOTUS: LTS0009318
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum japonicum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 433.5480000000002
TPSA？: 70.0
MolLogP？: 2.6287000000000016
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|