Salvianen
AlkaPlorer ID: AK093415
Synonym: None
IUPAC Name: 5,9,17,17-tetramethyl-3,8-dioxa-10-azapentacyclo[10.8.0.02,6.07,11.013,18]icosa-1(12),2(6),4,7(11),9,13(18),19-heptaene
Structure
SMILES: CC1=NC2=C(O1)C1=C(OC=C1C)C1=CC=C3C(=C12)CCCC3(C)C
InChI: InChI=1S/C21H21NO2/c1-11-10-23-19-14-7-8-15-13(6-5-9-21(15,3)4)17(14)18-20(16(11)19)24-12(2)22-18/h7-8,10H,5-6,9H2,1-4H3
InChIKey: RJEFBXFKZLHMNG-UHFFFAOYSA-N
Reference
Nitrogen-Containing Compounds from <i>Salvia </i><i>m</i><i>iltiorrhiza</i>
PubChem CID: 11186248
CAS: 862832-45-9
LOTUS: LTS0006481
SuperNatural Ⅲ: SN0326860
COCONUT: CNP0349602
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Salvia miltiorrhiza | Salvia | Lamiaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 319.4040000000001
TPSA？: 39.17
MolLogP？: 5.957940000000004
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HeLa | Activity | nan | None | 10.1021/np0500934 |
| Homo sapiens | HeLa | CD50 | 32.3 | uM | 10.1021/np0500934 |
| Homo sapiens | HepG2 | Activity | nan | None | 10.1021/np0500934 |
| Homo sapiens | HepG2 | CD50 | 30.4 | uM | 10.1021/np0500934 |
| Homo sapiens | OVCAR-3 | Activity | nan | None | 10.1021/np0500934 |
| Homo sapiens | OVCAR-3 | CD50 | 39.5 | uM | 10.1021/np0500934 |