(11bS)-3,4,9,11b-tetramethyl-1,2-dihydronaphtho[2,1-f][1]benzofuran-6,7,11-trione
PubChem CID: 59097525
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| Compound Synonyms | CHEMBL4172877 |
|---|---|
| Topological Polar Surface Area | 64.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 794.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (11bS)-3,4,9,11b-tetramethyl-1,2-dihydronaphtho[2,1-f][1]benzofuran-6,7,11-trione |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C20H18O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SDEIQSAVAYLCMI-FQEVSTJZSA-N |
| Fcsp3 | 0.35 |
| Logs | -5.844 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.244 |
| Compound Name | (11bS)-3,4,9,11b-tetramethyl-1,2-dihydronaphtho[2,1-f][1]benzofuran-6,7,11-trione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 322.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 322.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 322.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7945986666666673 |
| Inchi | InChI=1S/C20H18O4/c1-9-5-6-20(4)13(11(9)3)8-14(21)15-16(20)18(23)19-12(17(15)22)7-10(2)24-19/h7-8H,5-6H2,1-4H3/t20-/m0/s1 |
| Smiles | CC1=C(C2=CC(=O)C3=C([C@]2(CC1)C)C(=O)C4=C(C3=O)C=C(O4)C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Clerodendrum Trichotomum (Plant) Rel Props:Source_db:cmaup_ingredients