(11bS)-7,11-dihydroxy-3,4,9,11b-tetramethyl-1H-naphtho[2,1-f][1]benzofuran-2,6-dione
PubChem CID: 44577119
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL513673 |
|---|---|
| Topological Polar Surface Area | 87.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 720.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (11bS)-7,11-dihydroxy-3,4,9,11b-tetramethyl-1H-naphtho[2,1-f][1]benzofuran-2,6-dione |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C20H18O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OAUHNCIOZPVXOD-FQEVSTJZSA-N |
| Fcsp3 | 0.3 |
| Logs | -4.424 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.883 |
| Compound Name | (11bS)-7,11-dihydroxy-3,4,9,11b-tetramethyl-1H-naphtho[2,1-f][1]benzofuran-2,6-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 338.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 338.115 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 338.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.113125800000001 |
| Inchi | InChI=1S/C20H18O5/c1-8-5-11-17(23)15-13(21)6-12-9(2)10(3)14(22)7-20(12,4)16(15)18(24)19(11)25-8/h5-6,23-24H,7H2,1-4H3/t20-/m0/s1 |
| Smiles | CC1=CC2=C(C3=C(C(=C2O1)O)[C@]4(CC(=O)C(=C(C4=CC3=O)C)C)C)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Clerodendrum Bungei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Clerodendrum Trichotomum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all