CID 44152935
AlkaPlorer ID: AK319811
Synonym: None
IUPAC Name: (1S,2R,4S,10R,11R)-6-hydroxy-11-methyl-16-oxa-13-azahexacyclo[9.6.3.24,7.01,10.02,7.013,17]docosan-5-one
Structure
SMILES: C[C@]12CCC[C@@]3(C4OCCN4C1)[C@@H]1C[C@@H]4CCC1(CC[C@H]23)C(O)C4=O
InChI: InChI=1S/C21H31NO3/c1-19-5-2-6-21(18-22(12-19)9-10-25-18)14(19)4-8-20-7-3-13(11-15(20)21)16(23)17(20)24/h13-15,17-18,24H,2-12H2,1H3/t13-,14+,15+,17?,18?,19-,20?,21-/m0/s1
InChIKey: TYWMYARFUPLAIL-YMAXNEOZSA-N
Reference
NPASS: NPC298734
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum anthora | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Aconitum heterophyllum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Aconitum brachypodum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 345.48300000000006
TPSA？: 49.77
MolLogP？: 2.591200000000001
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|