Hetidine
AlkaPlorer ID: AK084360
Synonym: ''
IUPAC Name: (1R,3R,4S,5S,8R,9S,11S,14S,17S,18R)-3,4-dihydroxy-5,7-dimethyl-12-methylidene-7-azahexacyclo[9.6.2.01,8.05,17.09,14.014,18]nonadecane-10,16-dione
Structure
SMILES: C=C1C[C@@]23CC(=O)[C@@H]4[C@@]5(C)CN(C)[C@@H]6[C@H]2C(=O)[C@H]1C[C@H]3[C@]46C[C@@H](O)[C@H]5O
InChI: InChI=1S/C21H27NO4/c1-9-5-20-6-11(23)16-19(2)8-22(3)17-14(20)15(25)10(9)4-13(20)21(16,17)7-12(24)18(19)26/h10,12-14,16-18,24,26H,1,4-8H2,2-3H3/t10-,12+,13+,14+,16+,17+,18+,19+,20-,21+/m0/s1
InChIKey: LHSMCOYXDSMPQS-ACBREKFMSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum heterophyllum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 357.4500000000001
TPSA？: 77.84
MolLogP？: 0.7888999999999997
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|