Gravacridondiol
AlkaPlorer ID: AK514704
Synonym: None
IUPAC Name: 2-(1,2-dihydroxypropan-2-yl)-5-hydroxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one
Structure
SMILES: CN1C2=CC=CC=C2C(=O)C2=C(O)C=C3OC(C(C)(O)CO)CC3=C21
InChI: InChI=1S/C19H19NO5/c1-19(24,9-21)15-7-11-14(25-15)8-13(22)16-17(11)20(2)12-6-4-3-5-10(12)18(16)23/h3-6,8,15,21-22,24H,7,9H2,1-2H3
InChIKey: RQAGSTDFTGSIGB-UHFFFAOYSA-N
Reference
Algicidal and antifungal compounds from the roots of Ruta graveolens and synthesis of their analogs
PubChem CID: 5317836
CAS: 37551-75-0
LOTUS: LTS0012795
COCONUT: CNP0156972.4
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Thamnosma montana | Thamnosma | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 341.3630000000001
TPSA？: 91.92000000000002
MolLogP？: 1.4440999999999995
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A-431 | IC50 | 3000.0 | nM | 10.1021/np800644y |
| Homo sapiens | HeLa | IC50 | 3000.0 | nM | 10.1021/np800644y |
| Homo sapiens | MCF7 | IC50 | 3000.0 | nM | 10.1021/np800644y |
| Homo sapiens | P-glycoprotein 1 | Ratio | 1.72 | None | 10.1016/j.ejmech.2017.06.047 |