5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,?.0?,¹?.0?,¹?.0?,¹?.0¹?,¹?]nonadecane-3,13,19-triol
AlkaPlorer ID: AK325169
Synonym: None
IUPAC Name: (3S,5R,11R,13R,16R,17R,18S,19S)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecane-3,13,19-triol
Structure
SMILES: C=C1[C@H]2CC3C4N5C[C@]6(C)C[C@H](O)CC47[C@H]([C@H]2O)C3(C[C@@H]5[C@@H]76)[C@@H]1O
InChI: InChI=1S/C20H27NO3/c1-8-10-3-11-16-20-5-9(22)4-18(2)7-21(16)12(14(18)20)6-19(11,17(8)24)15(20)13(10)23/h9-17,22-24H,1,3-7H2,2H3/t9-,10+,11?,12+,13-,14+,15+,16?,17+,18-,19?,20?/m0/s1
InChIKey: FJCOIQMSSHLYSS-UVVWXATCSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum tanguticum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 329.44000000000005
TPSA？: 63.93000000000001
MolLogP？: 0.7639999999999998
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|