(1S,4S,5R,7S,8Z,11S)-4-hydroxy-4,9-dimethyl-14-methylidene-6,12-dioxatricyclo[9.3.0.05,7]tetradec-8-ene-10,13-dione
PubChem CID: 14845613
Connections displayed (default: 10).
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| Topological Polar Surface Area | 76.1 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 534.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (1S,4S,5R,7S,8Z,11S)-4-hydroxy-4,9-dimethyl-14-methylidene-6,12-dioxatricyclo[9.3.0.05,7]tetradec-8-ene-10,13-dione |
| Prediction Hob | 1.0 |
| Xlogp | 0.9 |
| Molecular Formula | C15H18O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RHXYXANCKVYEID-DVLGHZBISA-N |
| Fcsp3 | 0.6 |
| Logs | -2.115 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.937 |
| Compound Name | (1S,4S,5R,7S,8Z,11S)-4-hydroxy-4,9-dimethyl-14-methylidene-6,12-dioxatricyclo[9.3.0.05,7]tetradec-8-ene-10,13-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 278.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 278.115 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 278.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.1387848 |
| Inchi | InChI=1S/C15H18O5/c1-7-6-10-13(19-10)15(3,18)5-4-9-8(2)14(17)20-12(9)11(7)16/h6,9-10,12-13,18H,2,4-5H2,1,3H3/b7-6-/t9-,10-,12-,13+,15-/m0/s1 |
| Smiles | C/C/1=C/[C@H]2[C@@H](O2)[C@@](CC[C@@H]3[C@@H](C1=O)OC(=O)C3=C)(C)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cyperus Haspan (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Goniothalamus Thwaitesii (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Salvinia Imbricata (Plant) Rel Props:Source_db:cmaup_ingredients