Variegatine
AlkaPlorer ID: AK028957
Synonym: ''
IUPAC Name: (1R,5R,8R,9S,11S,14S,17R,18R)-5,7-dimethyl-12-methylidene-7-azahexacyclo[9.6.2.01,8.05,17.09,14.014,18]nonadecane-3,16-dione
Structure
SMILES: C=C1C[C@]23CC(=O)[C@@H]4[C@@]5(C)CC(=O)C[C@@]46[C@@H]2C[C@H]1C[C@@H]3[C@H]6N(C)C5
InChI: InChI=1S/C21H27NO2/c1-11-6-20-9-15(24)17-19(2)7-13(23)8-21(17)16(20)5-12(11)4-14(20)18(21)22(3)10-19/h12,14,16-18H,1,4-10H2,2-3H3/t12-,14-,16-,17-,18-,19+,20-,21-/m1/s1
InChIKey: XSVCVUWEQFJJRW-NOKNNZOXSA-N
Reference
Norditerpene and diterpene alkaloids from Aconitum variegatum
PubChem CID: 162880904
LOTUS: LTS0211317
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum variegatum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 325.452
TPSA？: 37.38
MolLogP？: 2.847300000000001
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|