5,7-Dihydroxy-2-heneicosyl-4h-chromen-4-one
PubChem CID: 85765613
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| Compound Synonyms | 5,7-dihydroxy-2-heneicosyl-4h-chromen-4-one |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 34.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 558.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-henicosyl-5,7-dihydroxychromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 11.4 |
| Molecular Formula | C30H48O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AUDFXVYMHPFCFS-UHFFFAOYSA-N |
| Fcsp3 | 0.7 |
| Logs | -3.442 |
| Rotatable Bond Count | 20.0 |
| Logd | 1.82 |
| Compound Name | 5,7-Dihydroxy-2-heneicosyl-4h-chromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 472.355 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 472.355 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 472.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -8.919749058823529 |
| Inchi | InChI=1S/C30H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-24-28(33)30-27(32)22-25(31)23-29(30)34-26/h22-24,31-32H,2-21H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCC1=CC(=O)C2=C(C=C(C=C2O1)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Passiflora Caerulea (Plant) Rel Props:Source_db:cmaup_ingredients