Sativene
PubChem CID: 11830550
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | sativene, CHEBI:64800, (1R,3aS,4R,7R,7aR)-4-methyl-8-methylene-7-(propan-2-yl)-octahydro-1H-1,4-methanoindene, (1R,3aS,4R,7R,7aR)-7-isopropyl-4-methyl-8-methyleneoctahydro-1H-1,4-methanoindene, (1S,2R,3R,6R,8R)-6-methyl-7-methylidene-3-propan-2-yltricyclo[4.4.0.02,8]decane, (1S,2R,3R,6R,8R)-6-methyl-7-methylidene-3-propan-2-yltricyclo(4.4.0.02,8)decane, Q27133440 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1C2CCC3C1CCCC23 |
| Np Classifier Class | Copacamphane sesquiterpenoids |
| Deep Smiles | CC[C@H]CC[C@@][C@@H][C@H]6[C@@H]CC5))C5=C)))))C)))))C |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | CC1C2CCC3C1CCCC23 |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 301.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (1S,2R,3R,6R,8R)-6-methyl-7-methylidene-3-propan-2-yltricyclo[4.4.0.02,8]decane |
| Prediction Hob | 0.0 |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.9 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C15H24 |
| Scaffold Graph Node Bond Level | C=C1C2CCC3C1CCCC23 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VOBBUADSYROGAT-FQKPHLNHSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.8666666666666667 |
| Logs | -5.633 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.657 |
| Synonyms | sativene |
| Esol Class | Moderately soluble |
| Functional Groups | C=C(C)C |
| Compound Name | Sativene |
| 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 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -4.153213399999999 |
| Inchi | InChI=1S/C15H24/c1-9(2)11-7-8-15(4)10(3)12-5-6-13(15)14(11)12/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12+,13+,14-,15+/m1/s1 |
| Smiles | CC(C)[C@H]1CC[C@@]2([C@@H]3[C@H]1[C@H](C2=C)CC3)C |
| Nring | 3.0 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Cannabis Sativa (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2015.1137236 - 2. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Cedrus Libani (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9712210 - 4. Outgoing r'ship
FOUND_INto/from Cinnamomum Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Cinnamomum Cassia (Plant) Rel Props:Source_db:npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Cinnamomum Verum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1165151 - 7. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Reference:ISBN:9788185042145 - 8. Outgoing r'ship
FOUND_INto/from Corymbia Citriodora (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698798 - 9. Outgoing r'ship
FOUND_INto/from Eupatorium Cannabinum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2003.9712088 - 10. Outgoing r'ship
FOUND_INto/from Illicium Verum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644074 - 11. Outgoing r'ship
FOUND_INto/from Juniperus Communis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1527 - 12. Outgoing r'ship
FOUND_INto/from Lavandula Stoechas (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1432419 - 13. Outgoing r'ship
FOUND_INto/from Mikania Cordata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2001.9699596 - 14. Outgoing r'ship
FOUND_INto/from Pinus Pinaster (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1178 - 15. Outgoing r'ship
FOUND_INto/from Sanicula Europaea (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1672 - 16. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all