Pratol
PubChem CID: 5320693
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| Compound Synonyms | Pratol, 7-Hydroxy-4'-methoxyflavone, 487-24-1, 7-hydroxy-2-(4-methoxyphenyl)chromen-4-one, 7-Hydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one, C.I. 75570, 4H-1-Benzopyran-4-one, 7-hydroxy-2-(4-methoxyphenyl)-, 487-17-2, Flavone, 7-hydroxy-4'-methoxy-, NSC-123414, MLS002707301, KU5R959MO7, NSC123414, 7-Hydroxy-4-methoxyflavone, EINECS 207-653-2, NSC 123414, BRN 0237239, UNII-KU5R959MO7, 7-Hydroxy-2-(4-methoxyphenyl)-4-benzopyrone, MFCD00016937, 7-Hydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one, 4hl5, 7-Hydroxy-flavone, 5h, 4'-methoxy-7-hydroxyflavone, Oprea1_854602, CHEMBL16751, SCHEMBL534596, BDBM85573, DTXSID20197587, HY-N8719, TNP00065, AKOS004110700, CCG-208438, FP67654, FS-6829, NCGC00017200-01, NCGC00017200-02, NCGC00017200-03, NCGC00142412-01, NCGC00142412-02, SMR001488172, CS-0148969, NS00021172, EN300-179336, G87215, AN-829/40761415, SR-05000002252, 7-Hydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one #, SR-05000002252-2, BRD-K35651673-001-05-9, Q15424797, Z1846974262, 15W |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CC(C2CCCCC2)CC2CCCCC12 |
| Np Classifier Class | Flavones |
| Deep Smiles | COcccccc6))ccc=O)cco6)cccc6))O |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Flavonoids |
| Scaffold Graph Node Level | OC1CC(C2CCCCC2)OC2CCCCC12 |
| Classyfire Subclass | O-methylated flavonoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 395.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q05769, n.a., P25779, P33261, Q03164, P04637, P08684, P11712, O95149, Q9UBT6, P11021, P17405, P38398, P63092, Q13526, P11308, O42275, P81908, Q86831, P09874, Q9H2K2, O95271, Q9NUW8, Q16769, P37136 |
| Iupac Name | 7-hydroxy-2-(4-methoxyphenyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Target Id | NPT213, NPT539, NPT109, NPT212, NPT2563, NPT588 |
| Xlogp | 3.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C16H12O4 |
| Scaffold Graph Node Bond Level | O=c1cc(-c2ccccc2)oc2ccccc12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SQVXWIUVAILQRH-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.0625 |
| Logs | -3.862 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.98 |
| Synonyms | 7-hydroxy-4'-methoxyflavone |
| Esol Class | Moderately soluble |
| Functional Groups | c=O, cO, cOC, coc |
| Compound Name | Pratol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 268.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 268.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 268.26 |
| 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 | -3.2295616 |
| Inchi | InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)15-9-14(18)13-7-4-11(17)8-16(13)20-15/h2-9,17H,1H3 |
| Smiles | COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)O |
| Nring | 3.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Flavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Cicer Arietinum (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Reference:ISBN:9770972795006 - 3. Outgoing r'ship
FOUND_INto/from Hedysarum Polybotrys (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Inula Britannica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Trifolium Pratense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all