(1S,2R,4S,6R,7S,10R,11R,17S)-11-methyl-5-methylidene-16-oxa-13-azahexacyclo[9.6.3.2⁴,⁷.0¹,¹⁰.0²,⁷.0¹³,¹⁷]docosan-6-ol
AlkaPlorer ID: AK439363
Synonym: None
IUPAC Name: 11-methyl-5-methylidene-16-oxa-13-azahexacyclo[9.6.3.24,7.01,10.02,7.013,17]docosan-6-ol
Structure
SMILES: C=C1C2CCC3(CCC4C5(C)CCCC4(C4OCCN4C5)C3C2)C1O
InChI: InChI=1S/C22H33NO2/c1-14-15-4-8-21(18(14)24)9-5-16-20(2)6-3-7-22(16,17(21)12-15)19-23(13-20)10-11-25-19/h15-19,24H,1,3-13H2,2H3
InChIKey: KWVIBDAKHDJCNY-UHFFFAOYSA-N
Reference
A new diterpenoid alkaloid from a Tibetan medicinal herb <i>Aconitum naviculare</i> Stapf
PubChem CID: 4481626
CAS: 466-43-3
LOTUS: LTS0117433
COCONUT: CNP0193231.8
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum anthora | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 343.5110000000001
TPSA？: 32.7
MolLogP？: 3.5783000000000027
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|