Methylnaphthazarin
PubChem CID: 271296
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| Compound Synonyms | Methylnaphthazarin, 2-Methylnaphthazarin, 14554-09-7, 5,8-dihydroxy-2-methylnaphthalene-1,4-dione, Ramentone, 1,4-Naphthoquinone, 5,8-dihydroxy-2-methyl-, 5,8-Dihydroxy-2-methyl-1,4-naphthoquinone, MLS001048870, SMR000387073, DTXSID70297223, 1,4-Naphthalenedione, 5,8-dihydroxy-2-methyl-, NSC208732, 1, 5,8-dihydroxy-2-methyl-, SR-01000758993, 7-Methylnaphthazarin, CHEMBL11475, cid_271296, NAPHTHAZARIN, 2-METHYL-, SCHEMBL10409133, BDBM33201, DTXCID60248360, NSC114764, AKOS030502544, NSC-114764, NSC-208732, 5,8-Dihydroxy-2-methylnaphthoquinone #, 2-methyl-5,8-bis(oxidanyl)naphthalene-1,4-dione, SR-01000758993-2, SR-01000758993-3 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 74.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC(C)C2CCCCC12 |
| Np Classifier Class | Naphthoquinones |
| Deep Smiles | CC=CC=O)ccC6=O))cO)ccc6O |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Naphthalenes |
| Scaffold Graph Node Level | OC1CCC(O)C2CCCCC12 |
| Classyfire Subclass | Naphthoquinones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 344.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,8-dihydroxy-2-methylnaphthalene-1,4-dione |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H8O4 |
| Scaffold Graph Node Bond Level | O=C1C=CC(=O)c2ccccc21 |
| Inchi Key | YKPXIWHBRBFRQM-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 2-methylnaphthazarin |
| Esol Class | Soluble |
| Functional Groups | CC1=CC(=O)ccC1=O, cO |
| Compound Name | Methylnaphthazarin |
| Exact Mass | 204.042 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.042 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 204.18 |
| 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/C11H8O4/c1-5-4-8(14)9-6(12)2-3-7(13)10(9)11(5)15/h2-4,12-13H,1H3 |
| Smiles | CC1=CC(=O)C2=C(C=CC(=C2C1=O)O)O |
| 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 Plumbago Indica (Plant) Rel Props:Reference:ISBN:9788172362461 - 2. Outgoing r'ship
FOUND_INto/from Plumbago Zeylanica (Plant) Rel Props:Reference:ISBN:9788185042138