5,7-Dihydroxy-2-icosylchromen-4-one
PubChem CID: 85765612
Connections displayed (default: 10).
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| Topological Polar Surface Area | 66.8 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 33.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 544.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-2-icosylchromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 10.8 |
| Molecular Formula | C29H46O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CGPKANWKMHFSHL-UHFFFAOYSA-N |
| Fcsp3 | 0.6896551724137931 |
| Logs | -3.69 |
| Rotatable Bond Count | 19.0 |
| Logd | 4.83 |
| Compound Name | 5,7-Dihydroxy-2-icosylchromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 458.34 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 458.34 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 458.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -8.565177024242427 |
| Inchi | InChI=1S/C29H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-23-27(32)29-26(31)21-24(30)22-28(29)33-25/h21-23,30-31H,2-20H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCC1=CC(=O)C2=C(C=C(C=C2O1)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Passiflora Caerulea (Plant) Rel Props:Source_db:cmaup_ingredients