Dehydronapelline
AlkaPlorer ID: AK063340
Synonym: '', '12-epi-Dehydronapelline', '(+)-12-Epidehydronapelline'
IUPAC Name: (1S,2R,4S,5S,8R,10S,12S,13S,14R,16S,17R,19R)-11-ethyl-5-methyl-18-methylidene-9-oxa-11-azaheptacyclo[15.2.1.01,14.02,12.04,13.05,10.08,13]icosane-16,19-diol
Structure
SMILES: C=C1[C@H]2C[C@]3([C@@H]1O)[C@@H](C[C@@H]2O)[C@@]12[C@@H]4[C@@H]3C[C@@H]1[C@]1(C)CC[C@H]2O[C@@H]1N4CC
InChI: InChI=1S/C22H31NO3/c1-4-23-17-12-7-14-20(3)6-5-16(26-19(20)23)22(14,17)15-8-13(24)11-9-21(12,15)18(25)10(11)2/h11-19,24-25H,2,4-9H2,1,3H3/t11-,12+,13+,14-,15-,16-,17+,18-,19+,20+,21-,22+/m1/s1
InChIKey: ULFMQUVPNJZNKM-NEPALKIKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum sachalinense | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 357.49400000000014
TPSA？: 52.93
MolLogP？: 2.1558
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|