5-methyl-12-methylidene-7-azahexacyclo[9.6.2.0¹,?.0?,¹?.0?,¹?.0¹?,¹?]nonadec-6-ene-13,18-diol
AlkaPlorer ID: AK048431
Synonym: None
IUPAC Name: (5R,13R,18R)-5-methyl-12-methylidene-7-azahexacyclo[9.6.2.01,8.05,17.09,14.014,18]nonadec-6-ene-13,18-diol
Structure
SMILES: C=C1C2CC3C4N=C[C@]5(C)CCCC46C5CCC3([C@@H]1O)[C@@]6(O)C2
InChI: InChI=1S/C20H27NO2/c1-11-12-8-13-15-19-6-3-5-17(2,10-21-15)14(19)4-7-18(13,16(11)22)20(19,23)9-12/h10,12-16,22-23H,1,3-9H2,2H3/t12?,13?,14?,15?,16-,17+,18?,19?,20+/m1/s1
InChIKey: YYGZDEFJEWISCO-HDTSTAKGSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum tanguticum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 313.441
TPSA？: 52.82000000000001
MolLogP？: 2.714000000000002
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|