| Compound | Rhinacanthin N |
| NPACT-Id | NPACT00915 |
| IUPAC | [3-(1-hydroxy-3,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl]1-hydroxy-4-methoxynaphthalene-2-carboxylate |
| Synonyms | 2-naphthalenecarboxylic acid,1-hydroxy-4-methoxy-,3-(1,4-dihydro-3-hydroxy-1,4-dioxo-2-naphthalenyl)-2,2-dimethylpropyl ester;3-(3-hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-2,2-dimethylpropyl 1-hydroxy-4-methoxynaphthalene-2-carboxylate;1-Hydroxy-4-methoxy-naphthalene-2-carboxylic acid 3-(3-hydroxy-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-2,2-dimethyl-propyl ester |
| PubChem Id | 10766384 |
| Class | Polycyclic aromatic natural products |
| In-vitro anticancer activity | 5 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | CASP3 | PTGER3 | All | |
| Properties | Physical Elemental Topological |
| InChi Key | QGNLMSYURYKNII-UHFFFAOYSA-N |
| InChi | 1S/C27H24O7/c1-27(2,13-20-23(29)17-10-6-7-11-18(17)24(30)25(20)31)14-34-26(32)19-12-21(33-3)15-8-4-5-9-16(15)22(19)28/h4-12,28-29H,13-14H2,1-3H3 |
| SMILES | O(CC(CC1=C(O)c2c(C(=O)C1=O)cccc2)(C)C)C(=O)c1c(O)c2c(c(OC)c1)cccc2 |
|
SMART | [#6]OC1=CC(C(=O)OC[C@]([#6])([#6])CC2=C(O)C3=CC=CC=C3C(=O)C2=O)=C(O)C2=CC=CC=C12 |
| CAS No. | 205653-96-9 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C515072 |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | NA, |
| Drug-Likeliness Filters | Lipinski's rule of five | No |
| Ghose filter | No |
| Veber filter | Yes |
| Muegge Filter | No |
| Similarity Search | Human metabolite database | FDA approved drugs |