Teretifolione B
PubChem CID: 392462
Connections displayed (default: 10).
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| Compound Synonyms | Teretifolione B, 57309-85-0, 3H-Napphthol(2,1-b)pyran-7,10-dione, 9-hydroxy-3-methyl-3-(4-methyl-3-pentenyl)-, (3R)-, Teretifolion-B, NSC692956, DTXSID50972824, NSC-692956, (3R)-9-hydroxy-3-methyl-3-(4-methylpent-3-enyl)benzo[f]chromene-7,10-dione, 3H-Napphthol[2,1-b]pyran-7,10-dione, 9-hydroxy-3-methyl-3-(4-methyl-3-pentenyl)-(3R), 7-Hydroxy-3-methyl-3-(4-methylpent-3-en-1-yl)-3H-naphtho[2,1-b]pyran-9,10-dione |
|---|---|
| Topological Polar Surface Area | 63.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 638.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3R)-7-hydroxy-3-methyl-3-(4-methylpent-3-enyl)benzo[f]chromene-9,10-dione |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C20H20O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ULIRHDIBWMJFFC-HXUWFJFHSA-N |
| Fcsp3 | 0.3 |
| Logs | -5.587 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.868 |
| Compound Name | Teretifolione B |
| Prediction Hob Swissadme | 1.0 |
| 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 | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.471531199999999 |
| Inchi | InChI=1S/C20H20O4/c1-12(2)5-4-9-20(3)10-8-14-17(24-20)7-6-13-15(21)11-16(22)19(23)18(13)14/h5-8,10-11,21H,4,9H2,1-3H3/t20-/m1/s1 |
| Smiles | CC(=CCC[C@@]1(C=CC2=C(O1)C=CC3=C2C(=O)C(=O)C=C3O)C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Trichosanthes Cucumeroides (Plant) Rel Props:Source_db:cmaup_ingredients