Ulexin C
PubChem CID: 5323553
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| Compound Synonyms | Ulexin C, 6-(2,2-dimethylchromen-6-yl)-4-hydroxy-2-(2-hydroxypropan-2-yl)furo[3,2-g]chromen-5-one, 5H-furo[3,2-g][1]benzopyran-5-one, 6-(2,2-dimethyl-2H-1-benzopyran-6-yl)-4-hydroxy-2-(1-hydroxy-1-methylethyl)-, 6-(2,2-Dimethyl-2H-chromen-6-yl)-4-hydroxy-2-(1-hydroxy-1-methyl-ethyl)-furo[3,2-g]chromen-5-one, 6-(2,2-dimethyl-2H-chromen-6-yl)-4-hydroxy-2-(1-hydroxy-1-methylethyl)-5H-furo[3,2-g]chromen-5-one, 6-(2,2-dimethylchromen-6-yl)-4-hydroxy-2-(2-hydroxypropan-2-yl)furo(3,2-g)chromen-5-one, 5H-furo(3,2-g)(1)benzopyran-5-one, 6-(2,2-dimethyl-2H-1-benzopyran-6-yl)-4-hydroxy-2-(1-hydroxy-1-methylethyl)-, 6-(2,2-Dimethyl-2H-chromen-6-yl)-4-hydroxy-2-(1-hydroxy-1-methyl-ethyl)-furo(3,2-g)chromen-5-one, 6-(2,2-dimethyl-2H-chromen-6-yl)-4-hydroxy-2-(1-hydroxy-1-methylethyl)-5H-furo(3,2-g)chromen-5-one, SCHEMBL572263, CHEMBL517608, LMPK12050179, 405297-96-3 |
|---|---|
| Topological Polar Surface Area | 89.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 798.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-(2,2-dimethylchromen-6-yl)-4-hydroxy-2-(2-hydroxypropan-2-yl)furo[3,2-g]chromen-5-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 4.4 |
| Is Pains | False |
| Molecular Formula | C25H22O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZCPMFYOKWFXSAI-UHFFFAOYSA-N |
| Fcsp3 | 0.24 |
| Rotatable Bond Count | 2.0 |
| Compound Name | Ulexin C |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 418.142 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 418.142 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 418.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.055407387096775 |
| Inchi | InChI=1S/C25H22O6/c1-24(2)8-7-14-9-13(5-6-17(14)31-24)16-12-29-19-11-18-15(22(26)21(19)23(16)27)10-20(30-18)25(3,4)28/h5-12,26,28H,1-4H3 |
| Smiles | CC1(C=CC2=C(O1)C=CC(=C2)C3=COC4=C(C3=O)C(=C5C=C(OC5=C4)C(C)(C)O)O)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ulex Airensis (Plant) Rel Props:Source_db:cmaup_ingredients