Dihydromyrcene
PubChem CID: 17090
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| Compound Synonyms | DIHYDROMYRCENE, 3,7-Dimethylocta-1,6-diene, 2436-90-0, Citronellene, 1,6-Octadiene, 3,7-dimethyl-, 3,7-Dimethyl-1,6-octadiene, (+)-beta-Citronellene, .beta.-Citronellene, UNII-LS5LA2BUG0, LS5LA2BUG0, EINECS 219-433-3, 3,7-Dimethyl-octa-1,6-diene, DTXSID8029234, BETA-CITRONELLENE, 2,6-Dimethyl 2,7-octadiene, DTXCID809234, EC 219-433-3, 3,7Dimethyl1,6octadiene, 3,7Dimethylocta1,6diene, 1,6Octadiene, 3,7dimethyl, CHEMBL2268551, CHEBI:232106, Tox21_202044, UN2319, AKOS006230490, NCGC00249153-01, NCGC00259593-01, CAS-2436-90-0, DB-058864, NS00006161, Q27283156, 128241-35-0, 663-421-4 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Acyclic monoterpenoids |
| Deep Smiles | C=CCCCC=CC)C)))))C |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Prenol lipids |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 116.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,7-dimethylocta-1,6-diene |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H18 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FUDNBFMOXDUIIE-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.6 |
| Rotatable Bond Count | 4.0 |
| Synonyms | 3,7-dimethyl-1,6-octadiene, citronellene |
| Esol Class | Soluble |
| Functional Groups | C=CC, CC=C(C)C |
| Compound Name | Dihydromyrcene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 138.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 138.141 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 138.25 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -3.0539747999999998 |
| Inchi | InChI=1S/C10H18/c1-5-10(4)8-6-7-9(2)3/h5,7,10H,1,6,8H2,2-4H3 |
| Smiles | CC(CCC=C(C)C)C=C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Aloysia Citriodora (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Annona Muricata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2007.9699288 - 3. Outgoing r'ship
FOUND_INto/from Backhousia Citriodora (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Corymbia Calophylla (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Corymbia Citriodora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Corymbia Eximia (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Corymbia Gummifera (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Corymbia Maculata (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Corymbia Scabrida (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Corymbia Tessellaris (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Corymbia Torelliana (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Eucalyptus Citriodora (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Lippia Alba (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1999.9701112 - 14. Outgoing r'ship
FOUND_INto/from Lippia Citriodora (Plant) Rel Props:Reference: