Yinyanghuo C
PubChem CID: 5315395
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| Compound Synonyms | Yinyanghuo C, 149182-47-8, 2-(2,2-dimethylchromen-6-yl)-5,7-dihydroxychromen-4-one, 4H-1-Benzopyran-4-one, 2-(2,2-dimethyl-2H-1-benzopyran-6-yl)-5,7-dihydroxy-, SCHEMBL4216220, CHEMBL5396099, CHEBI:196358, LMPK12110425 |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 607.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2,2-dimethylchromen-6-yl)-5,7-dihydroxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C20H16O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GPXYBBZISZKRAH-UHFFFAOYSA-N |
| Fcsp3 | 0.15 |
| Logs | -3.603 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.244 |
| Compound Name | Yinyanghuo C |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 336.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 336.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 336.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.3174266 |
| Inchi | InChI=1S/C20H16O5/c1-20(2)6-5-12-7-11(3-4-16(12)25-20)17-10-15(23)19-14(22)8-13(21)9-18(19)24-17/h3-10,21-22H,1-2H3 |
| Smiles | CC1(C=CC2=C(O1)C=CC(=C2)C3=CC(=O)C4=C(C=C(C=C4O3)O)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Epimedium Brevicornu (Plant) Rel Props:Source_db:cmaup_ingredients