Ipriflavone
PubChem CID: 3747
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| Compound Synonyms | ipriflavone, 35212-22-7, Osten, 7-Isopropoxyisoflavone, Yambolap, Osteofix, Ipriflavona, Iprosten, 7-Isopropoxy-3-phenyl-4H-1-benzopyran-4-one, Ipriflavonum, Osteoquine, Ostivone, 3-phenyl-7-propan-2-yloxychromen-4-one, Ipriflavone [INN:JAN], 7-isopropoxy-3-phenyl-4H-chromen-4-one, Osten (TN), Osteochin, 3-phenyl-7-(propan-2-yloxy)-4H-chromen-4-one, TC 80, 7-(1-Methylethoxy)-3-phenyl-4H-1-benzopyran-4-one, FL 113, FL-113, MLS000069470, 7-isopropyloxy-isoflavone, MFCD00221719, SMR000059060, 4H-1-Benzopyran-4-one, 7-(1-methylethoxy)-3-phenyl-, 80BJ7WN25Z, DTXSID5040679, CHEBI:31719, NSC-755888, NCGC00024094-04, Quinogin, DTXCID3020679, Ipriflavone (Osteofix), Iprivone, Ipriflavonum [INN-Latin], Ipriflavona [INN-Spanish], CAS-35212-22-7, CCRIS 1920, BRN 4754346, UNII-80BJ7WN25Z, Ipriflavon, (Ipriflavone), Ipriflavone, INN, 7-isopropoxy-isoflavone, Ipriflavone (Standard), Ipriflavone (JAN/INN), IPRIFLAVONE [MI], Opera_ID_1176, IPRIFLAVONE [INN], IPRIFLAVONE [JAN], Ipriflavone (JP18/INN), IPRIFLAVONE [VANDF], Cambridge id 6663564, cid_3747, IPRIFLAVONE [MART.], Oprea1_106310, Oprea1_275552, IPRIFLAVONE [WHO-DD], MLS000759494, MLS001146879, MLS001424060, MLS006011644, SCHEMBL111472, 7-isopropoxy-3-phenyl-chromone, CHEMBL165790, Ipriflavone, analytical standard, BDBM43662, HY-N0094R, SFBODOKJTYAUCM-UHFFFAOYSA-, FL113, HMS2051J15, HMS2234M05, HMS3371E17, HMS3393J15, HMS3656K19, HMS3715D04, TC-80, TN-39, HY-N0094, Tox21_111532, Tox21_113172, s2422, STL512460, AKOS003627375, Tox21_111532_1, Tox21_113172_1, AC-8130, CCG-100963, CS-6395, DB13618, FI07802, NC00213, NSC 755888, NCGC00018139-01, NCGC00018139-02, NCGC00018139-03, NCGC00018139-04, NCGC00018139-05, NCGC00018139-07, NCGC00018139-08, AS-12306, 3-phenyl-7-propan-2-yloxy-chromen-4-one, DB-048754, I0669, NS00010326, SW197593-2, 3-phenyl-7-propan-2-yloxy-1-benzopyran-4-one, D01338, D70301, AB00384280-21, SR-01000000042, Q1097778, SR-01000000042-2, 7-Isopropoxy-3-phenyl-4H-1-benzopyran-4-one, 97%, BRD-K93618743-001-20-2, BRD-K93618743-001-21-0, F0196-0909, InChI=1/C18H16O3/c1-12(2)21-14-8-9-15-17(10-14)20-11-16(18(15)19)13-6-4-3-5-7-13/h3-12H,1-2H3 |
|---|---|
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Description | Feed additive, catabolic agent |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 407.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-phenyl-7-propan-2-yloxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.0 |
| Molecular Formula | C18H16O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SFBODOKJTYAUCM-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -4.762 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.768 |
| Synonyms | (ipriflavone), 3-phenyl-7-(propan-2-yloxy)-4H-chromen-4-one, 4H-1-Benzopyran-4-one, 7-(1-methylethoxy)-3-phenyl-, 7-(1-methylethoxy)-3-phenyl-4H-1-benzopyran-4-one, 7-Isopropoxy-3-phenyl-4H-1-benzopyran-4-one, 7-Isopropoxyisoflavone, FL-113, FL113, Ipriflavona, Ipriflavone, Ipriflavone (jan/inn), Ipriflavone [inn:jan], Ipriflavone, INN, Ipriflavonum, Iprosten, Osten, Osten (TN), Osteochin, Osteofix, Osteoquine, Quinogin, Yambolap |
| Compound Name | Ipriflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 280.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 280.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 280.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9346121238095244 |
| Inchi | InChI=1S/C18H16O3/c1-12(2)21-14-8-9-15-17(10-14)20-11-16(18(15)19)13-6-4-3-5-7-13/h3-12H,1-2H3 |
| Smiles | CC(C)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=CC=C3 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Linum Usitatissimum (Plant) Rel Props:Source_db:cmaup_ingredients