Salviadione
AlkaPlorer ID: AK100824
Synonym: None
IUPAC Name: 11-hydroxy-9,9-dimethyl-3-propan-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(15),3,5(14),6,8(13),11-hexaen-2-one
Structure
SMILES: CC(C)C1=CC2=CC=C3C4=C(NC(=C24)C1=O)C(=O)CC3(C)C
InChI: InChI=1S/C19H19NO2/c1-9(2)11-7-10-5-6-12-15-14(10)17(18(11)22)20-16(15)13(21)8-19(12,3)4/h5-7,9,20H,8H2,1-4H3
InChIKey: NTCFZQOODYXOGM-UHFFFAOYSA-N
Reference
Nitrogen-Containing Compounds from <i>Salvia </i><i>m</i><i>iltiorrhiza</i>
CAS: 862832-47-1
LOTUS: LTS0112083
COCONUT: CNP0223436
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Salvia miltiorrhiza | Salvia | Lamiaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 293.366
TPSA？: 49.93
MolLogP？: 4.267600000000003
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HeLa | CD50 | 178.0 | uM | 10.1021/np0500934 |
| Homo sapiens | HepG2 | CD50 | 137.0 | uM | 10.1021/np0500934 |
| Homo sapiens | OVCAR-3 | CD50 | 169.0 | uM | 10.1021/np0500934 |