(4E,11S)-4,15,15-trimethyl-8-methylidenebicyclo[9.3.1]pentadeca-1(14),4-diene-2,6-dione
PubChem CID: 101402127
Connections displayed (default: 10).
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| Topological Polar Surface Area | 34.1 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 532.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (4E,11S)-4,15,15-trimethyl-8-methylidenebicyclo[9.3.1]pentadeca-1(14),4-diene-2,6-dione |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C19H26O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DQJLMRMMTISQAJ-GOFCXVBSSA-N |
| Fcsp3 | 0.5789473684210527 |
| Logs | -4.022 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.194 |
| Compound Name | (4E,11S)-4,15,15-trimethyl-8-methylidenebicyclo[9.3.1]pentadeca-1(14),4-diene-2,6-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 286.193 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.193 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 286.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.915273 |
| Inchi | InChI=1S/C19H26O2/c1-13-8-9-15-6-5-7-17(19(15,3)4)18(21)12-14(2)11-16(20)10-13/h7,11,15H,1,5-6,8-10,12H2,2-4H3/b14-11+/t15-/m0/s1 |
| Smiles | C/C/1=C\C(=O)CC(=C)CC[C@@H]2CCC=C(C2(C)C)C(=O)C1 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Balanophora Indica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Picris Kamtschatica (Plant) Rel Props:Source_db:cmaup_ingredients