Septenine
AlkaPlorer ID: AK376032
Synonym: None
IUPAC Name: (2,6,18-trihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-3-yl) acetate
Structure
SMILES: C=C1CC23CC4C5C6(C)CC(OC(C)=O)C(O)C57C(C2CC1CC37O)N4C6O
InChI: InChI=1S/C22H29NO5/c1-9-5-20-7-13-15-19(3)8-14(28-10(2)24)17(25)22(15)16(23(13)18(19)26)12(20)4-11(9)6-21(20,22)27/h11-18,25-27H,1,4-8H2,2-3H3
InChIKey: FGERYDCMGOEROV-UHFFFAOYSA-N
Reference
2-Acetylseptentriosine, a New Diterpenoid Alkaloid from Aconitum septentrionale
PubChem CID: 162990211
CAS: 169626-10-2
LOTUS: LTS0272698
COCONUT: CNP0263198.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum septentrionale | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 387.4760000000001
TPSA？: 90.23
MolLogP？: 0.7972999999999999
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|