3-(3,4-dimethoxyphenyl)-7-hydroxy-4-methyl-2H-chromen-2-one
PubChem CID: 5393158
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| Compound Synonyms | 3-(3,4-dimethoxyphenyl)-7-hydroxy-4-methyl-2H-chromen-2-one, 548764-47-2, 3-(3,4-dimethoxyphenyl)-7-hydroxy-4-methylchromen-2-one, MLS001167021, SMR000641313, SCHEMBL5423355, CHEMBL1528457, BDBM75220, cid_5393158, HMS1655K04, HMS2956J15, STK788061, AKOS000270894, NCGC00312405-01, CS-0279787, EN300-36415, AB00859269-06, SR-01000017876, SR-01000017876-1, 3(3',4'-Dimethoxyphenyl)-7-hydroxy-4-methylcoumarin, 3-(3,4-dimethoxyphenyl)-7-hydroxy-4-methyl-coumarin, F1862-0333, 3-(3,4-dimethoxy-phenyl)-7-hydroxy-4-methyl-chromen-2-one, 3-(3,4-dimethoxyphenyl)-4-methyl-7-oxidanyl-chromen-2-one, 3-(3,4-dimethoxyphenyl)-7-hydroxy-4-methyl-1-benzopyran-2-one |
|---|---|
| Topological Polar Surface Area | 65.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 486.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P02791, P04062, P11473, P83916, Q9UNA4, O75496, Q99700, P63092, Q9NR56 |
| Iupac Name | 3-(3,4-dimethoxyphenyl)-7-hydroxy-4-methylchromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C18H16O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AQGVQGLSKSEDGI-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -3.98 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.042 |
| Compound Name | 3-(3,4-dimethoxyphenyl)-7-hydroxy-4-methyl-2H-chromen-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 312.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 312.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 312.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9138728086956522 |
| Inchi | InChI=1S/C18H16O5/c1-10-13-6-5-12(19)9-15(13)23-18(20)17(10)11-4-7-14(21-2)16(8-11)22-3/h4-9,19H,1-3H3 |
| Smiles | CC1=C(C(=O)OC2=C1C=CC(=C2)O)C3=CC(=C(C=C3)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pulsatilla Dahurica (Plant) Rel Props:Source_db:npass_chem_all