Khrinone E
PubChem CID: 6710647
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| Compound Synonyms | khrinone E, 7-hydroxy-3-(3-hydroxy-2,4-dimethoxyphenyl)chromen-4-one, KOPARIN 2'-METHYL ETHER, 7-hydroxy-3-(3-hydroxy-2,4-dimethoxyphenyl)-1-benzopyran-4-one, KBio2_006341, Spectrum_000725, Spectrum2_000813, Spectrum3_000178, Spectrum4_001609, Spectrum5_000337, BSPBio_001675, KBioGR_001957, KBioSS_001205, SPECTRUM200416, SPBio_000705, CHEMBL1079959, SCHEMBL21168203, KBio2_001205, KBio2_003773, KBio3_001175, CHEBI:107658, CCG-39058, NCGC00095957-01, NCGC00095957-02, NCGC00095957-03, NCGC00179098-01, BRD-K43224838-001-02-4, Q27185981, 69505-46-0 |
|---|---|
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 476.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q99714, B2RXH2, P00352, P15428, Q9Y6L6, Q9NPD5 |
| Iupac Name | 7-hydroxy-3-(3-hydroxy-2,4-dimethoxyphenyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Target Id | NPT149, NPT48, NPT94, NPT151 |
| Xlogp | 2.4 |
| Molecular Formula | C17H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WDHLJEOPUWGKKG-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -3.77 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.444 |
| Compound Name | Khrinone E |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 314.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 314.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 314.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.125999208695652 |
| Inchi | InChI=1S/C17H14O6/c1-21-13-6-5-10(17(22-2)16(13)20)12-8-23-14-7-9(18)3-4-11(14)15(12)19/h3-8,18,20H,1-2H3 |
| Smiles | COC1=C(C(=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O)OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dalbergia Parviflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all