Teuvincenone A
PubChem CID: 14467636
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | TEUVINCENONE A, (9S,11bR)-5,7,11-trihydroxy-4,4,9,11b-tetramethyl-1,2,8,9-tetrahydronaphtho(2,1-f)(1)benzofuran-3,6-dione, (9S,11bR)-5,7,11-trihydroxy-4,4,9,11b-tetramethyl-1,2,8,9-tetrahydronaphtho[2,1-f][1]benzofuran-3,6-dione, CHEMBL1287906 |
|---|---|
| Topological Polar Surface Area | 104.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 709.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Uniprot Id | n.a. |
| Iupac Name | (9S,11bR)-5,7,11-trihydroxy-4,4,9,11b-tetramethyl-1,2,8,9-tetrahydronaphtho[2,1-f][1]benzofuran-3,6-dione |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C20H22O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GWRKJHSVPDIUPU-FFVOIRBGSA-N |
| Fcsp3 | 0.5 |
| Logs | -4.247 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.266 |
| Compound Name | Teuvincenone A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 358.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 358.142 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 358.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.097587230769232 |
| Inchi | InChI=1S/C20H22O6/c1-8-7-9-13(22)11-12(15(24)17(9)26-8)20(4)6-5-10(21)19(2,3)18(20)16(25)14(11)23/h8,22,24-25H,5-7H2,1-4H3/t8-,20+/m0/s1 |
| Smiles | C[C@H]1CC2=C(C3=C(C(=C2O1)O)[C@]4(CCC(=O)C(C4=C(C3=O)O)(C)C)C)O |
| 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;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Teucrium Polium (Plant) Rel Props:Source_db:npass_chem_all