Euchrenone A3
PubChem CID: 45269666
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| Compound Synonyms | euchrenone a3, CHEMBL559832, (2S)-5,7-dihydroxy-2-(7-hydroxy-2,2-dimethylchromen-6-yl)-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 36.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 895.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-5,7-dihydroxy-2-(7-hydroxy-2,2-dimethylchromen-6-yl)-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 7.2 |
| Molecular Formula | C30H34O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HBUKGWAZEVMVBC-VWLOTQADSA-N |
| Fcsp3 | 0.3666666666666666 |
| Logs | -2.605 |
| Rotatable Bond Count | 5.0 |
| Logd | 4.493 |
| Compound Name | Euchrenone A3 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 490.236 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 490.236 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 490.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.315461866666668 |
| Inchi | InChI=1S/C30H34O6/c1-16(2)7-9-19-27(33)20(10-8-17(3)4)29-26(28(19)34)23(32)15-25(35-29)21-13-18-11-12-30(5,6)36-24(18)14-22(21)31/h7-8,11-14,25,31,33-34H,9-10,15H2,1-6H3/t25-/m0/s1 |
| Smiles | CC(=CCC1=C(C(=C2C(=C1O)C(=O)C[C@H](O2)C3=C(C=C4C(=C3)C=CC(O4)(C)C)O)CC=C(C)C)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lespedeza Floribunda (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all