5-Hydroxy-3-methoxyphenanthrene-1,4-dione
PubChem CID: 3086629
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| Compound Synonyms | Cymbinodin A, 5-hydroxy-3-methoxyphenanthrene-1,4-dione, 130837-95-5, DTXSID00926938 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 63.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC(C)C2C1CCC1CCCCC12 |
| Np Classifier Class | Naphthoquinones |
| Deep Smiles | COC=CC=O)ccC6=O))ccO)cccc6cc%10 |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Phenanthrenes and derivatives |
| Scaffold Graph Node Level | OC1CCC(O)C2C1CCC1CCCCC12 |
| Classyfire Subclass | Phenanthrols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 439.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-3-methoxyphenanthrene-1,4-dione |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H10O4 |
| Scaffold Graph Node Bond Level | O=C1C=CC(=O)c2c1ccc1ccccc21 |
| Inchi Key | DDEQWQREGNUPCT-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | cymbinodin a |
| Esol Class | Soluble |
| Functional Groups | COC1=CC(=O)ccC1=O, cO |
| Compound Name | 5-Hydroxy-3-methoxyphenanthrene-1,4-dione |
| Exact Mass | 254.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 254.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 254.24 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H10O4/c1-19-12-7-11(17)9-6-5-8-3-2-4-10(16)13(8)14(9)15(12)18/h2-7,16H,1H3 |
| Smiles | COC1=CC(=O)C2=C(C1=O)C3=C(C=CC=C3O)C=C2 |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Naphthalenes |
- 1. Outgoing r'ship
FOUND_INto/from Cymbidium Aloifolium (Plant) Rel Props:Reference:ISBN:9788185042145