CID 5377561
PubChem CID: 5377561
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Linderane, KBMSVODXFLAQNJ-YWEYNIOJSA-N, 2H-10,1a-(Epoxymethano)oxireno[4,5]cyclodeca[1,2-b]furan-12-one, 3,6,10,10a-tetrahydro-5,9-dimethyl-, [1aS-(1aR*,4E,10R*,10aR*)]-, 4.beta.H-Germacra-1(10),7,11-trien-15-oic acid, 4,5.beta.:8,12-diepoxy-6.alpha.-hydroxy-, .gamma.-lactone, (E)- |
|---|---|
| Topological Polar Surface Area | 52.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 457.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (4Z)-5,10-dimethyl-8,14,16-trioxatetracyclo[10.2.2.01,13.07,11]hexadeca-4,7(11),9-trien-15-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C15H16O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KBMSVODXFLAQNJ-YWEYNIOJSA-N |
| Fcsp3 | 0.5333333333333333 |
| Logs | -3.799 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.683 |
| Compound Name | CID 5377561 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 260.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 260.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 260.279 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.820328642105263 |
| Inchi | InChI=1S/C15H16O4/c1-8-4-3-5-15-13(19-15)12(18-14(15)16)11-9(2)7-17-10(11)6-8/h4,7,12-13H,3,5-6H2,1-2H3/b8-4- |
| Smiles | C/C/1=C/CCC23C(O2)C(C4=C(C1)OC=C4C)OC3=O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lindera Aggregata (Plant) Rel Props:Source_db:cmaup_ingredients