Teuvincenone B
PubChem CID: 14467638
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| Compound Synonyms | TEUVINCENONE B, 127419-64-1, Phenanthro[3,2-b]furan-6(2H)-one, 1,3,4,8,9,11b-hexahydro-5,7,11-trihydroxy-4,4,9,11b-tetramethyl-, (9S,11bR)-, CHEMBL1287880, DTXSID601110886, AKOS040763222, (9S,11bR)-1,3,4,8,9,11b-Hexahydro-5,7,11-trihydroxy-4,4,9,11b-tetramethylphenanthro[3,2-b]furan-6(2H)-one, (9S,11bR)-5,7,11-trihydroxy-4,4,9,11b-tetramethyl-2,3,8,9-tetrahydro-1H-naphtho[2,1-f][1]benzofuran-6-one |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 638.0 |
| 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-2,3,8,9-tetrahydro-1H-naphtho[2,1-f][1]benzofuran-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.8 |
| Molecular Formula | C20H24O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MVLKANNSFKZLTO-GWNMQOMSSA-N |
| Fcsp3 | 0.55 |
| Logs | -3.375 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.382 |
| Compound Name | Teuvincenone B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 344.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 344.162 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 344.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.164323400000001 |
| Inchi | InChI=1S/C20H24O5/c1-9-8-10-13(21)11-12(15(23)17(10)25-9)20(4)7-5-6-19(2,3)18(20)16(24)14(11)22/h9,21,23-24H,5-8H2,1-4H3/t9-,20+/m0/s1 |
| Smiles | C[C@H]1CC2=C(C3=C(C(=C2O1)O)[C@]4(CCCC(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 Teucrium Polium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all