5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,?.0?,¹?.0?,¹?.0?,¹?.0¹?,¹?]nonadecan-3-one
AlkaPlorer ID: AK254746
Synonym: None
IUPAC Name: (1R,5R,8R,9S,11R,14R,16S,17R,18R)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-3-one
Structure
SMILES: C=C1C[C@@]23C[C@H]4[C@@H]5[C@@]6(C)CC(=O)C[C@@]57[C@@H]2C[C@@H]1C[C@@H]3[C@H]7N4C6
InChI: InChI=1S/C20H25NO/c1-10-5-19-8-14-16-18(2)6-12(22)7-20(16)15(19)4-11(10)3-13(19)17(20)21(14)9-18/h11,13-17H,1,3-9H2,2H3/t11-,13+,14-,15+,16+,17+,18-,19-,20+/m0/s1
InChIKey: ULNMNTRLMCFPLP-FLATUHHWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum tanguticum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 295.426
TPSA？: 20.31
MolLogP？: 3.030600000000001
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|