Dihydrokaempferide
PubChem CID: 21721857
Connections displayed (default: 10).
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| Compound Synonyms | Dihydrokaempferide, 137225-59-3, 9V3SE2M92C, 4H-1-BENZOPYRAN-4-ONE, 2,3-DIHYDRO-3,5,7-TRIHYDROXY-2-(4-METHOXYPHENYL)-, (2R,3R)-, UNII-9V3SE2M92C, 4H-1-Benzopyran-4-one, 2,3-dihydro-3,5,7-trihydroxy-2-(4-methoxyphenyl)-, (2R,3R)-3,5,7-trihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one, 2,3-DIHYDROKAEMPFERIDE, CHEMBL458480, MEGxp0_000657, ACon1_000776, DTXSID60929743, AKOS040763420, NCGC00169370-01, 3,5,7-TRIHYDROXY-4'-METHOXYFLAVANONE, BRD-K24050686-001-01-1, Q27273271, (2R,3R)-2,3-DIHYDRO-3,5,7-TRIHYDROXY-2-(4-METHOXYPHENYL)-4H-1-BENZOPYRAN-4-ONE, 3570-69-2, 4H-1-BENZOPYRAN-4-ONE, 2,3-DIHYDRO-3,5,7-TRIHYDROXY-2-(4-METHOXYPHENYL)-, (2R-TRANS)- |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 405.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Uniprot Id | n.a. |
| Iupac Name | (2R,3R)-3,5,7-trihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C16H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CKDYDMSDCNQHEB-JKSUJKDBSA-N |
| Fcsp3 | 0.1875 |
| Logs | -3.734 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.176 |
| Compound Name | Dihydrokaempferide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 302.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 302.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 302.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.012684763636363 |
| Inchi | InChI=1S/C16H14O6/c1-21-10-4-2-8(3-5-10)16-15(20)14(19)13-11(18)6-9(17)7-12(13)22-16/h2-7,15-18,20H,1H3/t15-,16+/m0/s1 |
| Smiles | COC1=CC=C(C=C1)[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
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FOUND_INto/from Anodendron Affine (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
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FOUND_INto/from Crotalaria Paniculata (Plant) Rel Props:Reference: - 18. Outgoing r'ship
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FOUND_INto/from Lonchocarpus Salvadorensis (Plant) Rel Props:Reference: - 96. Outgoing r'ship
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