Flavan
PubChem CID: 94156
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| Compound Synonyms | Flavan, 2-Phenylchroman, 494-12-2, 2-phenyl-3,4-dihydro-2H-chromene, 2-Phenylchromane, 3,4-Dihydro-2-phenyl-2H-1-benzopyran, 2H-1-Benzopyran, 3,4-dihydro-2-phenyl-, CHEBI:38691, EINECS 207-786-6, FLAVANE, SCHEMBL123287, CHEMBL444299, SCHEMBL5531696, DTXSID50870558, FF65962, 2-Phenyl-3,4-dihydro-2H-1-benzopyran, DA-25703, NS00042506, 2-Phenylchroman, 2,3-Dihydro-2-phenylbenzopyran, AO-079/15259082, Q389595 |
|---|---|
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 219.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-phenyl-3,4-dihydro-2H-chromene |
| Prediction Hob | 1.0 |
| Class | Flavonoids |
| Xlogp | 3.8 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | Flavans |
| Molecular Formula | C15H14O |
| Prediction Swissadme | 0.0 |
| Inchi Key | QOLIPNRNLBQTAU-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -4.921 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.742 |
| Synonyms | 3,4-Dihydro-2-phenyl-2H-1-benzopyran |
| Compound Name | Flavan |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 210.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 210.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 210.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -4.026711199999999 |
| Inchi | InChI=1S/C15H14O/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15/h1-9,15H,10-11H2 |
| Smiles | C1CC2=CC=CC=C2OC1C3=CC=CC=C3 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Flavans |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients