5,17-dimethyl-3,8-dioxa-10-azapentacyclo[10.8.0.0²,?.0?,¹¹.0¹³,¹?]icosa-1,4,6,9,11,13(18),14,16,19-nonaene
AlkaPlorer ID: AK113693
Synonym: None
IUPAC Name: 5,17-dimethyl-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=CC=CC2=C1C=CC1=C3OC=C(C)C3=C3OC=NC3=C21
InChI: InChI=1S/C19H13NO2/c1-10-4-3-5-13-12(10)6-7-14-16(13)17-19(22-9-20-17)15-11(2)8-21-18(14)15/h3-9H,1-2H3
InChIKey: ZBXNXVRDRXYXHY-UHFFFAOYSA-N
Reference
New Abietane Diterpene Alkaloids Possessing an Oxazole Ring from Salvia trijuga
PubChem CID: 86226793
LOTUS: LTS0106084
COCONUT: CNP0191701
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Salvia trijuga | Salvia | Lamiaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 287.318
TPSA？: 39.17
MolLogP？: 5.497240000000003
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|