(-)-Gynuraone
PubChem CID: 54582272
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| Compound Synonyms | (-)-Gynuraone, CHEBI:68289, (2R,3R)-3,5-dihydroxy-2-methyl-2,3-dihydro-4H-chromen-4-one, CHEMBL1765413, Q27136785, (2R,3R)-3,5-dihydroxy-2-methyl-2,3-dihydrochromen-4-one |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 240.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2R,3R)-3,5-dihydroxy-2-methyl-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C10H10O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | COBAEYCUCRUGRP-MLUIRONXSA-N |
| Fcsp3 | 0.3 |
| Logs | -2.458 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.259 |
| Compound Name | (-)-Gynuraone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 194.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 194.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 194.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.274596057142857 |
| Inchi | InChI=1S/C10H10O4/c1-5-9(12)10(13)8-6(11)3-2-4-7(8)14-5/h2-5,9,11-12H,1H3/t5-,9-/m1/s1 |
| Smiles | C[C@@H]1[C@H](C(=O)C2=C(C=CC=C2O1)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gynura Segetum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all