p-Mentha-1,8-dien-4-ol
PubChem CID: 527428
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| Compound Synonyms | p-Mentha-1,8-dien-4-ol, 3419-02-1, 4-Methyl-1-(prop-1-en-2-yl)cyclohex-3-enol, 4-methyl-1-prop-1-en-2-ylcyclohex-3-en-1-ol, 1,8-Menthadien-4-ol, Limonene-4-ol, Limonen-4-ol, 1,8-Menthadiene-4-ol, p-1,8-Menthadien-4-ol, p-Menth-1,8-dien-4-ol, SCHEMBL524697, DTXSID50335798, CHEBI:171936, p-Mentha-1(6),8-diene-4-ol, SB84501, 4-methyl-1-(prop-1-en-2-yl)cyclohex-3-en-1-ol, 4-Methyl-1-(1-methylethenyl)-3-cyclohexen-1-ol, 9CI |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Monocyclic monoterpenoids |
| Deep Smiles | CC=CCCCC6))O)C=C)C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Prenol lipids |
| Description | Isolated from Japanese pepper tree (Zanthoxylum piperitum), yuzu (Citrus junos), and spearmint (Mentha spicata) oils. p-Mentha-1,8-dien-4-ol is found in many foods, some of which are spearmint, pepper (spice), caraway, and blackcurrant. |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 203.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methyl-1-prop-1-en-2-ylcyclohex-3-en-1-ol |
| Prediction Hob | 1.0 |
| Class | Prenol lipids |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 2.1 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Monoterpenoids |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H16O |
| Scaffold Graph Node Bond Level | C1=CCCCC1 |
| Prediction Swissadme | 1.0 |
| Inchi Key | OVKDFILSBMEKLT-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.6 |
| Logs | -2.259 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.232 |
| Synonyms | 4-Methyl-1-(1-methylethenyl)-3-cyclohexen-1-ol, 9CI, Limonen-4-ol, Limonene-4-ol, p-menth-1,8-dien-4-ol, 4-Methyl-1-(1-methylethenyl)-3-cyclohexen-1-ol, 9ci, P-Menth-1,8-dien-4-ol, 1,8(9)-p-menthadien-4-ol, 1,8-menthadien-4-ol, 1,8-p-menthadien-4-ol, p-mentha-1,8-dien-4-ol, p-mentha-1,8-dien-4-ol (= limonen-4-ol), p-mentha-1,8-dien-4-ol (=limonen-4-ol), p-mentha-1,8-dien-4-ol (=limonene-4-ol), p-menthα-1,8-dien-4-ol, p-menthα-1,8-dien-4-ol (= limonen-4-ol) |
| Substituent Name | Menthane monoterpenoid, Monocyclic monoterpenoid, Tertiary alcohol, Cyclic alcohol, Hydrocarbon derivative, Organooxygen compound, Alcohol, Aliphatic homomonocyclic compound |
| Esol Class | Soluble |
| Functional Groups | C=C(C)C, CC=C(C)C, CO |
| Compound Name | p-Mentha-1,8-dien-4-ol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 152.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 152.23 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -2.0345694 |
| Inchi | InChI=1S/C10H16O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,11H,1,5-7H2,2-3H3 |
| Smiles | CC1=CCC(CC1)(C(=C)C)O |
| Nring | 1.0 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Menthane monoterpenoids |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Bursera Graveolens (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1563 - 2. Outgoing r'ship
FOUND_INto/from Carum Carvi (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Citrus Japonica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9698819 - 4. Outgoing r'ship
FOUND_INto/from Hyssopus Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2018.1442753 - 5. Outgoing r'ship
FOUND_INto/from Juniperus Communis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1527 - 6. Outgoing r'ship
FOUND_INto/from Mentha Spicata (Plant) Rel Props:Source_db:fooddb_chem_all - 7. Outgoing r'ship
FOUND_INto/from Origanum Majorana (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698713 - 8. Outgoing r'ship
FOUND_INto/from Pelargonium Graveolens (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2018.1442753 - 9. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Source_db:fooddb_chem_all - 10. Outgoing r'ship
FOUND_INto/from Pistacia Vera (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2016.1216899 - 11. Outgoing r'ship
FOUND_INto/from Ribes Nigrum (Plant) Rel Props:Source_db:fooddb_chem_all - 12. Outgoing r'ship
FOUND_INto/from Zanthoxylum Bungeanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Zanthoxylum Piperitum (Plant) Rel Props:Source_db:npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Zanthoxylum Schinifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all