ratibinolide II
PubChem CID: 44576007
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| Compound Synonyms | ratibinolide II, CHEMBL519007 |
|---|---|
| Topological Polar Surface Area | 59.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 538.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | (1R,2S,6S,9S,10S,13R)-10-hydroxy-9,13-dimethyl-5-methylidene-3,14-dioxatetracyclo[7.5.0.01,13.02,6]tetradec-11-en-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.1 |
| Molecular Formula | C15H18O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QILBTSPMVUQHNY-ABVBFRSVSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -3.37 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.043 |
| Compound Name | ratibinolide II |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 262.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 262.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 262.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.1340909999999997 |
| Inchi | InChI=1S/C15H18O4/c1-8-9-4-6-13(2)10(16)5-7-14(3)15(13,19-14)11(9)18-12(8)17/h5,7,9-11,16H,1,4,6H2,2-3H3/t9-,10-,11-,13-,14+,15-/m0/s1 |
| Smiles | C[C@@]12CC[C@@H]3[C@@H]([C@@]14[C@](O4)(C=C[C@@H]2O)C)OC(=O)C3=C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ratibida Latipalearis (Plant) Rel Props:Source_db:cmaup_ingredients