Abyssinone IV
PubChem CID: 4063835
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| Compound Synonyms | Abyssinone IV, 7-Hydroxy-2-[4-hydroxy-3,5-bis-(3-methylbut-2-enyl)phenyl]chroman-4-one, 7-hydroxy-2-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]chroman-4-one, Abysinnone IV, 7-hydroxy-2-(4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl)chroman-4-one, CHEBI:186357, LMPK12140038, 7-hydroxy-2-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one, AO-166/21204006, 2,3-dihydro-7-hydroxy-2-[4-hydroxy-3,5-bis(3-methyl-2-butenyl)phenyl]-4h -1-benzopyran-4-one |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 599.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-2-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 6.0 |
| Molecular Formula | C25H28O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JBQLRZGPTDOWQA-UHFFFAOYSA-N |
| Fcsp3 | 0.32 |
| Logs | -4.502 |
| Rotatable Bond Count | 5.0 |
| Logd | 4.257 |
| Compound Name | Abyssinone IV |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 392.199 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 392.199 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 392.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.124175896551725 |
| Inchi | InChI=1S/C25H28O4/c1-15(2)5-7-17-11-19(12-18(25(17)28)8-6-16(3)4)23-14-22(27)21-10-9-20(26)13-24(21)29-23/h5-6,9-13,23,26,28H,7-8,14H2,1-4H3 |
| Smiles | CC(=CCC1=CC(=CC(=C1O)CC=C(C)C)C2CC(=O)C3=C(O2)C=C(C=C3)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Erythrina Abyssinica (Plant) Rel Props:Source_db:cmaup_ingredients