8-Prenyldaidzein
PubChem CID: 14841119
Connections displayed (default: 10).
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| Compound Synonyms | 8-Prenyldaidzein, 135384-00-8, 7-hydroxy-3-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one, CHEBI:133373, 7-hydroxy-3-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-4H-1-benzopyran-4-one, SCHEMBL571444, MEGxp0_000420, CHEMBL3120671, ACon1_000459, GLXC-16472, HY-N2784, AKOS022184598, FS-9372, NCGC00169058-01, DA-50026, CS-0023296, D85091, BRD-K38625604-001-01-3, B0005-458254, 7-HYDROXY-3-(4-HYDROXYPHENYL)-8-(3-METHYLBUT-2-EN-1-YL)CHROMEN-4-ONE |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 524.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-3-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 4.4 |
| Is Pains | False |
| Molecular Formula | C20H18O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NQKCBBHHFITUFF-UHFFFAOYSA-N |
| Fcsp3 | 0.15 |
| Rotatable Bond Count | 3.0 |
| Compound Name | 8-Prenyldaidzein |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 322.121 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| 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)3-8-15-18(22)10-9-16-19(23)17(11-24-20(15)16)13-4-6-14(21)7-5-13/h3-7,9-11,21-22H,8H2,1-2H3 |
| Smiles | CC(=CCC1=C(C=CC2=C1OC=C(C2=O)C3=CC=C(C=C3)O)O)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bituminaria Bituminosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Cullen Corylifolium (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Erythrina Fusca (Plant) Rel Props:Source_db:npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Erythrina Variegata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all