Helminthogermacrene
PubChem CID: 71306395
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| Compound Synonyms | Helminthogermacrene, (-)-Helminthogermacrene, 75023-40-4, W5174VTN5T, 1,5-Cyclodecadiene, 1,5-dimethyl-8-(1-methylethenyl)-, (1E,5Z,8R)-, (+)-(7S)-Helmintogermacrene, UNII-W5174VTN5T, CHEBI:192821, XMRKUJJDDKYUHV-SOMPWSNVSA-N, Q27292309, (1E,5Z,8R)-1,5-dimethyl-8-(prop-1-en-2-yl)cyclodeca-1,5-diene |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 278.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (1E,5Z,8R)-1,5-dimethyl-8-prop-1-en-2-ylcyclodeca-1,5-diene |
| Prediction Hob | 1.0 |
| Xlogp | 4.7 |
| Molecular Formula | C15H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XMRKUJJDDKYUHV-SOMPWSNVSA-N |
| Fcsp3 | 0.6 |
| Logs | -5.278 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.78 |
| Compound Name | Helminthogermacrene |
| 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 | 2.0 |
| Esol | -4.7391134 |
| Inchi | InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,9,15H,1,5,7-8,10-11H2,2-4H3/b13-6+,14-9-/t15-/m1/s1 |
| Smiles | C/C/1=C\CC/C(=C\C[C@@H](CC1)C(=C)C)/C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Piper Betle (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Scapania Undulata (Plant) Rel Props:Source_db:cmaup_ingredients