Spathelia bischromene
PubChem CID: 441993
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| Compound Synonyms | Spathelia bischromene, Spatheliabisanomene, 34411-93-3, C09048, AC1L9C2E, CTK8I3160, CHEBI:9213, DTXSID20331707, 4,10,10,16,16-pentamethyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1,4,7,11,13,17-hexaen-6-one, Q27108315, 2,2,6,6,10-Pentamethyl-2H,6H,12H-benzo[1,2-b:3,4-b':5,6-b'']tripyran-12-one |
|---|---|
| Topological Polar Surface Area | 44.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 655.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,10,10,16,16-pentamethyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1,4,7,11,13,17-hexaen-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Molecular Formula | C20H20O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CUFLINMPEWUGEH-UHFFFAOYSA-N |
| Fcsp3 | 0.35 |
| Logs | -3.129 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.922 |
| Compound Name | Spathelia bischromene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 324.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 324.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 324.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.0368645333333335 |
| Inchi | InChI=1S/C20H20O4/c1-11-10-14(21)15-17(22-11)12-6-8-19(2,3)23-16(12)13-7-9-20(4,5)24-18(13)15/h6-10H,1-5H3 |
| Smiles | CC1=CC(=O)C2=C3C(=C4C(=C2O1)C=CC(O4)(C)C)C=CC(O3)(C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Spartium Junceum (Plant) Rel Props:Source_db:cmaup_ingredients