Teprene-3197-3
PubChem CID: 524129
Connections displayed (default: 10).
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| Compound Synonyms | TEPRENE-3197-3, DTXSID30877909, Humulene epoxide II, 19888-34-7, 90820-79-4, Spectrum_000674, SpecPlus_000657, 12-Oxabicyclo[9.1.0]dodeca-3,7-diene, 1,5,5,8-tetramethyl-, Spectrum2_001763, Spectrum3_001325, Spectrum4_001453, KBioGR_001965, KBioSS_001154, DivK1c_006753, SPBio_001625, KBio1_001697, KBio2_001154, KBio2_003722, KBio2_006290, KBio3_002269, DTXSID00335248, DTXCID901015974, UAA88834, (1R,3Z,7Z,11R)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene |
|---|---|
| Topological Polar Surface Area | 12.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 324.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Molecular Formula | C15H24O |
| Prediction Swissadme | 0.0 |
| Inchi Key | QTGAEXCCAPTGLB-UHFFFAOYSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -5.106 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.389 |
| Compound Name | Teprene-3197-3 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 220.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 220.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.6317071999999992 |
| Inchi | InChI=1S/C15H24O/c1-12-6-7-13-15(4,16-13)10-5-9-14(2,3)11-8-12/h5,8-9,13H,6-7,10-11H2,1-4H3 |
| Smiles | CC1=CCC(C=CCC2(C(O2)CC1)C)(C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Scoparia (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cyperus Rotundus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Zanthoxylum Bungeanum (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Zanthoxylum Schinifolium (Plant) Rel Props:Source_db:cmaup_ingredients