Rutacridone
AlkaPlorer ID: AK001251
Synonym: None
IUPAC Name: (2R)-5-hydroxy-11-methyl-2-prop-1-en-2-yl-1,2-dihydrofuro[2,3-c]acridin-6-one
Structure
SMILES: C=C(C)[C@H]1CC2=C3C(=C(O)C=C2O1)C(=O)C1=CC=CC=C1N3C
InChI: InChI=1S/C19H17NO3/c1-10(2)15-8-12-16(23-15)9-14(21)17-18(12)20(3)13-7-5-4-6-11(13)19(17)22/h4-7,9,15,21H,1,8H2,2-3H3/t15-/m1/s1
InChIKey: FHAGACMCMQYSNX-OAHLLOKOSA-N
Reference
Algicidal and antifungal compounds from the roots of Ruta graveolens and synthesis of their analogs
PubChem CID: 11623705
LOTUS: LTS0166680
SuperNatural Ⅲ: SN0085489-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ruta graveolens | Ruta | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 307.34900000000005
TPSA？: 51.46
MolLogP？: 3.2769000000000013
Number of H-Donors: 1
Number of H-Acceptors: 4
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 |