(1S,2R,5R,6S,9S,11R,12S,13R)-11-hydroxy-6,13-dimethyl-7-azapentacyclo[10.8.0.0²,⁹.0⁵,⁹.0¹³,¹⁸]icosa-7,14,17-trien-16-one
AlkaPlorer ID: AK067667
Synonym: None
IUPAC Name: (13R)-11-hydroxy-6,13-dimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosa-7,14,17-trien-16-one
Structure
SMILES: CC1N=CC23CC(O)C4C(CCC5=CC(=O)C=C[C@@]54C)C2CCC13
InChI: InChI=1S/C21H27NO2/c1-12-16-5-6-17-15-4-3-13-9-14(23)7-8-20(13,2)19(15)18(24)10-21(16,17)11-22-12/h7-9,11-12,15-19,24H,3-6,10H2,1-2H3/t12?,15?,16?,17?,18?,19?,20-,21?/m0/s1
InChIKey: IRJULQGCGHNQDS-FVBIZVIFSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alternanthera philoxeroides | Alternanthera | Amaranthaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Holarrhena pubescens | Holarrhena | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 325.4520000000001
TPSA？: 49.66
MolLogP？: 3.3343000000000016
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|