Neosalvianen
AlkaPlorer ID: AK075300
Synonym: None
IUPAC Name: 5,9,17,17-tetramethyl-3,10-dioxa-8-azapentacyclo[10.8.0.02,6.07,11.013,18]icosa-1(12),2(6),4,7(11),8,13(18),19-heptaene
Structure
SMILES: CC1=NC2=C(O1)C1=C3CCCC(C)(C)C3=CC=C1C1=C2C(C)=CO1
InChI: InChI=1S/C21H21NO2/c1-11-10-23-19-14-7-8-15-13(6-5-9-21(15,3)4)17(14)20-18(16(11)19)22-12(2)24-20/h7-8,10H,5-6,9H2,1-4H3
InChIKey: XIEAHUZPQQITDN-UHFFFAOYSA-N
Reference
Nitrogen-Containing Compounds from <i>Salvia </i><i>m</i><i>iltiorrhiza</i>
PubChem CID: 11472648
CAS: 790673-00-6
LOTUS: LTS0069159
SuperNatural Ⅲ: SN0430841
COCONUT: CNP0270539
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Salvia yunnanensis | Salvia | Lamiaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 319.40400000000005
TPSA？: 39.17
MolLogP？: 5.957940000000005
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 | CD50 | 63.9 | uM | 10.1021/np0500934 |
| Homo sapiens | HepG2 | CD50 | 59.2 | uM | 10.1021/np0500934 |
| Homo sapiens | OVCAR-3 | CD50 | 74.6 | uM | 10.1021/np0500934 |