cis-Piperitol
PubChem CID: 85567
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| Compound Synonyms | cis-Piperitol, (+)-cis-Piperitol, 2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-, (1R,6S)-rel-, 16721-38-3, (1R,6S)-3-methyl-6-propan-2-ylcyclohex-2-en-1-ol, cis-p-Menth-1-en-3-ol, p-Menth-1-en-3-ol, cis-, 2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-, cis-, p-Menth-1-en-3-ol, cis-(+)-, FEMA No. 3179, cis-(+)-, p-Menth-1-en-3-ol, (3R,4S)-, 38KW3EQO0M, DTXSID90884932, EINECS 240-775-4, (1R,6S)-6-Isopropyl-3-methyl-cyclohex-2-en-1-ol, G7666796PG, p-Menth-1-en-3-ol, cis-(+/-)-, 2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-, (1R,6S)-, 2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-, (1R-cis)-, cis-6-(Isopropyl)-3-methylcyclohex-2-en-1-ol, 34350-53-3, (Z)-Piperitol, (+/-)-cis-Piperitol, UNII-38KW3EQO0M, SCHEMBL1301004, UNII-G7666796PG, CHEBI:167403, DTXCID501024349, FEMA NO. 3179, CIS-(+/-)-, 6-Isopropyl-3-methyl-2-cyclohexen-1-ol-, cis-, Q63408709, 3-METHYL-6-(1-METHYLETHYL)-2-CYCLOGEXEN-1-OL |
|---|---|
| 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 | Menthane monoterpenoids |
| Deep Smiles | CC=C[C@@H][C@@H]CC6))CC)C)))O |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Prenol lipids |
| Description | Cis-p-menth-1-en-3-ol is a member of the class of compounds known as menthane monoterpenoids. Menthane monoterpenoids are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes. Cis-p-menth-1-en-3-ol is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). Cis-p-menth-1-en-3-ol is a herbal tasting compound and can be found in a number of food items such as common oregano, nutmeg, peppermint, and rosemary, which makes cis-p-menth-1-en-3-ol a potential biomarker for the consumption of these food products. |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 158.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1R,6S)-3-methyl-6-propan-2-ylcyclohex-2-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 | C10H18O |
| Scaffold Graph Node Bond Level | C1=CCCCC1 |
| Prediction Swissadme | 1.0 |
| Inchi Key | HPOHAUWWDDPHRS-UWVGGRQHSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.8 |
| Logs | -1.971 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.716 |
| Synonyms | (+-)-cis-Piperitol, (Z)-Piperitol, 2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-, cis-, cis-p-Menth-1-en-3-ol, cis-Piperitol, cis-piperitol, p-menth-1-en-3-ol,cis-, piperitol, cis |
| Esol Class | Soluble |
| Functional Groups | CC(C)=CC, CO |
| Compound Name | cis-Piperitol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 154.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 154.25 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -2.0722686 |
| Inchi | InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9-11H,4-5H2,1-3H3/t9-,10-/m0/s1 |
| Smiles | CC1=C[C@@H]([C@@H](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 |
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FOUND_INto/from Trachyspermum Roxburghianum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9712203 - 119. Outgoing r'ship
FOUND_INto/from Xanthium Orientale (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3084 - 120. Outgoing r'ship
FOUND_INto/from Zanthoxylum Armatum (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199907/08)14:4<225::aid-ffj818>3.0.co;2-1 - 121. Outgoing r'ship
FOUND_INto/from Zanthoxylum Bungeanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 122. Outgoing r'ship
FOUND_INto/from Zanthoxylum Piperitum (Plant) Rel Props:Source_db:npass_chem_all - 123. Outgoing r'ship
FOUND_INto/from Zanthoxylum Schinifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 124. Outgoing r'ship
FOUND_INto/from Zingiber Montanum (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730060214 - 125. Outgoing r'ship
FOUND_INto/from Ziziphora Clinopodioides (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2005.10643447