11-Hydroxy-7,7,18,18-tetramethyl-2,8,19-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4(9),5,10,15(20),16,21-octaen-13-one
PubChem CID: 14259061
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL3327039 |
|---|---|
| Topological Polar Surface Area | 65.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 723.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 11-hydroxy-7,7,18,18-tetramethyl-2,8,19-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4(9),5,10,15(20),16,21-octaen-13-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.0 |
| Molecular Formula | C23H20O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BELWAPDLROYTBA-UHFFFAOYSA-N |
| Fcsp3 | 0.2608695652173913 |
| Logs | -3.3 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.314 |
| Compound Name | 11-Hydroxy-7,7,18,18-tetramethyl-2,8,19-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4(9),5,10,15(20),16,21-octaen-13-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 376.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 376.131 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 376.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.040229600000001 |
| Inchi | InChI=1S/C23H20O5/c1-22(2)9-7-12-15(27-22)5-6-16-18(12)20(25)19-14(24)11-17-13(21(19)26-16)8-10-23(3,4)28-17/h5-11,24H,1-4H3 |
| Smiles | CC1(C=CC2=C(O1)C=CC3=C2C(=O)C4=C(O3)C5=C(C=C4O)OC(C=C5)(C)C)C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cudrania Tricuspidata (Plant) Rel Props:Source_db:cmaup_ingredients