Kanzonol D
PubChem CID: 15291875
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| Compound Synonyms | Kanzonol D, 155233-20-8, 7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one, 7-hydroxy-2-(4-hydroxy-3-(3-methylbut-2-enyl)phenyl)chromen-4-one, CHEMBL480875, CHEBI:186924, HY-N12289, LMPK12110030, DA-54598, CS-0897294 |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 532.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P18031 |
| Iupac Name | 7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.2 |
| Molecular Formula | C20H18O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NRUOYYDQBWDRKE-UHFFFAOYSA-N |
| Fcsp3 | 0.15 |
| Logs | -3.448 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.182 |
| Compound Name | Kanzonol D |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 322.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 322.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 322.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.4082653333333335 |
| Inchi | InChI=1S/C20H18O4/c1-12(2)3-4-13-9-14(5-8-17(13)22)19-11-18(23)16-7-6-15(21)10-20(16)24-19/h3,5-11,21-22H,4H2,1-2H3 |
| Smiles | CC(=CCC1=C(C=CC(=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)O)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Inflata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Uralensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all