2,5-Dihydroxy-4-methoxy-9H-fluoren-9-one
PubChem CID: 10879298
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| Compound Synonyms | 2,5-Dihydroxy-4-methoxy-9H-fluoren-9-one, SCHEMBL7792240, BNLICISMBGNGFN-UHFFFAOYSA-N |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1C2CCCCC2C2CCCCC12 |
| Np Classifier Class | Anthraquinones and anthrones |
| Deep Smiles | COcccO)ccc6-ccO)cccc6C9=O |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Fluorenes |
| Scaffold Graph Node Level | OC1C2CCCCC2C2CCCCC12 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 343.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,5-dihydroxy-4-methoxyfluoren-9-one |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H10O4 |
| Scaffold Graph Node Bond Level | O=C1c2ccccc2-c2ccccc21 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BNLICISMBGNGFN-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.0714285714285714 |
| Logs | -4.508 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.573 |
| Synonyms | 2,5-dihydroxy-4-methoxy-9-fluorenone, dengibsin |
| Esol Class | Soluble |
| Functional Groups | cC(c)=O, cO, cOC |
| Compound Name | 2,5-Dihydroxy-4-methoxy-9H-fluoren-9-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 242.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 242.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 242.23 |
| 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 |
| Esol | -3.2307593333333333 |
| Inchi | InChI=1S/C14H10O4/c1-18-11-6-7(15)5-9-13(11)12-8(14(9)17)3-2-4-10(12)16/h2-6,15-16H,1H3 |
| Smiles | COC1=CC(=CC2=C1C3=C(C2=O)C=CC=C3O)O |
| Nring | 3.0 |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Polycyclic aromatic polyketides |
- 1. Outgoing r'ship
FOUND_INto/from Dendrobium Densiflorum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all