(-)-delta-Selinene
PubChem CID: 12308845
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| Compound Synonyms | (-)-delta-selinene, 10alpha-eudesma-4,6-diene, CHEBI:49280, (8aS)-4,8a-dimethyl-6-(propan-2-yl)-1,2,3,7,8,8a-hexahydronaphthalene 10alpha-eudesma-4,6-diene, 28624-23-9, (8aS)-4,8a-dimethyl-6-(propan-2-yl)-1,2,3,7,8,8a-hexahydronaphthalene, (8aS)-4,8a-dimethyl-6-propan-2-yl-2,3,7,8-tetrahydro-1H-naphthalene, DTXSID501317168, LMPR0103190012, Q27121589 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 317.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (8aS)-4,8a-dimethyl-6-propan-2-yl-2,3,7,8-tetrahydro-1H-naphthalene |
| Prediction Hob | 0.0 |
| Xlogp | 4.3 |
| Molecular Formula | C15H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VEGYMPQCXPVQJY-HNNXBMFYSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -4.519 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.951 |
| Compound Name | (-)-delta-Selinene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 204.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.188 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 204.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.756313399999999 |
| Inchi | InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h10-11H,5-9H2,1-4H3/t15-/m0/s1 |
| Smiles | CC1=C2C=C(CC[C@@]2(CCC1)C)C(C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cyperus Alopecuroides (Plant) Rel Props:Source_db:cmaup_ingredients