5,9,17-trimethyl-3,8-dioxa-10-azapentacyclo[10.8.0.0²,?.0?,¹¹.0¹³,¹?]icosa-1(20),2(6),4,7(11),9,12,14,16,18-nonaene
AlkaPlorer ID: AK253696
Synonym: None
IUPAC Name: 5,9,17-trimethyl-3,8-dioxa-10-azapentacyclo[10.8.0.02,6.07,11.013,18]icosa-1(12),2(6),4,7(11),9,13,15,17,19-nonaene
Structure
SMILES: CC1=NC2=C(O1)C1=C(OC=C1C)C1=C2C2=CC=CC(C)=C2C=C1
InChI: InChI=1S/C20H15NO2/c1-10-5-4-6-14-13(10)7-8-15-17(14)18-20(23-12(3)21-18)16-11(2)9-22-19(15)16/h4-9H,1-3H3
InChIKey: IVRVVMSJCWUYKG-UHFFFAOYSA-N
Reference
New Abietane Diterpene Alkaloids Possessing an Oxazole Ring from Salvia trijuga
PubChem CID: 86226794
LOTUS: LTS0106867
COCONUT: CNP0156203
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Salvia trijuga | Salvia | Lamiaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 301.345
TPSA？: 39.17
MolLogP？: 5.805660000000004
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | Inhibition | 17.44 | % | 10.1021/acs.jnatprod.7b00659 |