Baicalein-7-O-glucoside
PubChem CID: 5320313
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| Compound Synonyms | Oroxin A, 57396-78-8, baicalein-7-o-glucoside, 5,6-dihydroxy-2-phenyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one, baicalein 7-O-glucoside, OroxinA, Oroxin A (Standard), Oroxin A, Baicalein-7-O-glucoside, Baikalin, Baicalein 7-O-glucopyranoside, CHEMBL516858, SCHEMBL6238244, baicalein 7-O-beta-D-glucoside, HY-N2025R, DTXSID70904521, IPQKDIRUZHOIOM-IAAKTDFRSA-N, HY-N2025, s9189, AKOS030573618, CCG-269033, FO74141, 4H-1-Benzopyran-4-one, 7-(.beta.-D-glucopyranosyloxy)-5,6-dihydroxy-2-phenyl-, NCGC00017393-02, NCGC00142466-01, DA-66369, MS-27709, CS-0018488, Baicalein-7-O-glucoside, Baikalin, Deglucosyloroxin B, 5,6-Dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl hexopyranoside #, 5,6-Dihydroxy-2-phenyl-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one, 5,6-DIHYDROXY-2-PHENYL-7-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}CHROMEN-4-ONE |
|---|---|
| Topological Polar Surface Area | 166.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 677.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Uniprot Id | Q03164, Q99714, B2RXH2, Q9NUW8, P10636, P00352, Q9F4F7, O97447, P15428, P97697, Q9UBT6, P11021, P27695 |
| Iupac Name | 5,6-dihydroxy-2-phenyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| Prediction Hob | 0.0 |
| Target Id | NPT149, NPT48, NPT50, NPT51, NPT94, NPT151 |
| Xlogp | 0.9 |
| Molecular Formula | C21H20O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IPQKDIRUZHOIOM-IAAKTDFRSA-N |
| Fcsp3 | 0.2857142857142857 |
| Logs | -3.248 |
| Rotatable Bond Count | 4.0 |
| Logd | 0.282 |
| Compound Name | Baicalein-7-O-glucoside |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 432.106 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 432.106 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 432.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.6827976838709686 |
| Inchi | InChI=1S/C21H20O10/c22-8-14-17(25)19(27)20(28)21(31-14)30-13-7-12-15(18(26)16(13)24)10(23)6-11(29-12)9-4-2-1-3-5-9/h1-7,14,17,19-22,24-28H,8H2/t14-,17-,19+,20-,21-/m1/s1 |
| Smiles | C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Oroxylum Indicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Scutellaria Baicalensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Scutellaria Balcalensis (Plant) Rel Props:Source_db:npass_chem_all