Lachnoisoflavones A, (rac)-
PubChem CID: 51041993
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| Compound Synonyms | Lachnoisoflavones A, (rac)-, CHEBI:70028, CHEMBL1689270, Q27138370 |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 628.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-(2,4-dihydroxyphenyl)-4-hydroxy-2-prop-1-en-2-yl-2,3-dihydrofuro[2,3-f]chromen-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C20H16O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HHQAAUSMOBNXFL-UHFFFAOYSA-N |
| Fcsp3 | 0.15 |
| Logs | -3.881 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.794 |
| Compound Name | Lachnoisoflavones A, (rac)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 352.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 352.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 352.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.0048050153846155 |
| Inchi | InChI=1S/C20H16O6/c1-9(2)16-6-12-15(23)7-17-18(20(12)26-16)19(24)13(8-25-17)11-4-3-10(21)5-14(11)22/h3-5,7-8,16,21-23H,1,6H2,2H3 |
| Smiles | CC(=C)C1CC2=C(O1)C3=C(C=C2O)OC=C(C3=O)C4=C(C=C(C=C4)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crotalaria Lachnophora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all