Lachnoisoflavones B
PubChem CID: 51041994
Connections displayed (default: 10).
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| Compound Synonyms | Lachnoisoflavones B, CHEBI:70029, Lachnoisoflavone B, CHEMBL1689271, Q27138371 |
|---|---|
| Topological Polar Surface Area | 89.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 619.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7,20-dihydroxy-17-prop-1-en-2-yl-10,12,16-trioxapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),3(11),4(9),5,7,13,15(19)-heptaen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.8 |
| Molecular Formula | C20H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UVJBSWKDLJKBCL-UHFFFAOYSA-N |
| Fcsp3 | 0.15 |
| Logs | -3.897 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.844 |
| Compound Name | Lachnoisoflavones B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 350.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 350.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 350.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.636567353846155 |
| Inchi | InChI=1S/C20H14O6/c1-8(2)12-6-11-14(24-12)7-15-17(18(11)22)19(23)16-10-4-3-9(21)5-13(10)25-20(16)26-15/h3-5,7,12,21-22H,1,6H2,2H3 |
| Smiles | CC(=C)C1CC2=C(O1)C=C3C(=C2O)C(=O)C4=C(O3)OC5=C4C=CC(=C5)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crotalaria Lachnophora (Plant) Rel Props:Source_db:cmaup_ingredients