Kirinine C
AlkaPlorer ID: AK189690
Synonym: ''
IUPAC Name: [(1R,2S,5R,8R,9R,10S,11R,13R,14S,15R,16R)-11,14-dihydroxy-5-methyl-12-methylidene-7-azahexacyclo[7.6.2.210,13.01,8.05,16.010,15]nonadec-6-en-2-yl] acetate
Structure
SMILES: C=C1[C@H]2CC[C@@]3([C@@H]1O)[C@@H]([C@H]2O)[C@@]12[C@@H](OC(C)=O)CC[C@@]4(C)C=N[C@@H]1[C@@H]3C[C@@H]24
InChI: InChI=1S/C22H29NO4/c1-10-12-4-7-21(19(10)26)13-8-14-20(3)6-5-15(27-11(2)24)22(14,17(21)16(12)25)18(13)23-9-20/h9,12-19,25-26H,1,4-8H2,2-3H3/t12-,13+,14-,15+,16+,17-,18-,19-,20+,21+,22-/m1/s1
InChIKey: YFVHJZDSOYGKPW-ORHDGNPGSA-N
Reference
Diterpene alkaloids from Aconitum kirinense
PubChem CID: 162844513
LOTUS: LTS0176258
SuperNatural Ⅲ: SN0449254-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum kirinense | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 371.4770000000001
TPSA？: 79.11999999999999
MolLogP？: 2.1115000000000004
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|