Natural Product: ENC002264

NPs Basic Information

Download MOL File
Name
(Z)-p-Menth-2-en-1-ol
Molecular Formula C10H18O
IUPAC Name*
(1S,4S)-1-methyl-4-propan-2-ylcyclohex-2-en-1-ol
SMILES
CC(C)[C@@H]1CC[C@](C=C1)(C)O
InChI
InChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,6,8-9,11H,5,7H2,1-3H3/t9-,10+/m0/s1
InChIKey
IZXYHAXVIZHGJV-VHSXEESVSA-N
Synonyms
(Z)-p-Menth-2-en-1-ol; cis-2-Menthenol; cis-p-menth-2-en-1-ol; cis-2-p-Menthen-1-ol; 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, cis-; cis-p-Menth-2-ene-1-ol; cis-p-Mentha-2-en-1-ol; cis-para-Menth-2-en-1-ol; p-Menth-2-en-1-ol, cis; cis-para-Menth-2-ene-1-ol; Menth-2-en-1-ol (cis-p); Menth-2-en-1-ol, cis-para; (Z)-p-Mentha-2-en-1-ol; SCHEMBL8919384; (1R,4R)-4-Isopropyl-1-methylcyclohex-2-enol; 4-Isopropyl-1-methyl-2-cyclohexen-1-ol, cis-; 1-Methyl-4alpha-isopropyl-2-cyclohexen-1alpha-ol; cis-2-Cyclohexene-1-ol-1-methyl-4(1-methylethyl); Q67880197
CAS NA
PubChem CID 13918681
ChEMBL ID NA
*Note: the IUPAC Name was collected from PubChem.
Chemical Classification:
  • Kingdom: Organic compounds
    • Superclass: Lipids and lipid-like mol
      • Class: Prenol lipids
        • Subclass: Monoterpenoids
          • Direct Parent: Menthane monoterpenoids

ClassyFire Version 1.0
PMID:27867422

NPs Species Source

Endophyte ID Endophyte Name Family Genus Taxonomy ID GenBank ID Closest GenBank ID Reference
Endophyte ID Endophyte Name Family Genus Taxonomy ID GenBank ID Closest GenBank ID Reference

NPs Content

*Note: The vaules in Content Percentage are calculated by dividing the content value by the maximum content value in NP Content.
**Note: The units with different NP content, due to their incomparable values, are separated into different tables.

NPs Biological Activity

Bioactivity Name Target ID Target Name Target Type Target Organism Target Organism ID Potency of Bioactivity Activity Type Value Unit Endophyte ID Endophyte Name
Bioactivity Name Target ID Target Name Target Type Target Organism Target Organism ID Potency of Bioactivity Activity Type Value Unit Endophyte ID Endophyte Name

NPs Physi-Chem Properties

Molecular Weight: 154.25 ALogp: 2.3
HBD: 1 HBA: 1
Rotatable Bonds: 1 Lipinski's rule of five: Accepted
Polar Surface Area: 20.2 Aromatic Rings: 1
Heavy Atoms: 11 QED Weighted: 0.575

NPs ADMET Properties*

ADMET: Absorption

Caco-2 Permeability: -4.118 MDCK Permeability: 0.00003050
Pgp-inhibitor: 0 Pgp-substrate: 0.002
Human Intestinal Absorption (HIA): 0.003 20% Bioavailability (F20%): 0.003
30% Bioavailability (F30%): 0.401

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB): 0.948 Plasma Protein Binding (PPB): 66.05%
Volume Distribution (VD): 1.296 Fu: 32.18%

ADMET: Metabolism

CYP1A2-inhibitor: 0.174 CYP1A2-substrate: 0.655
CYP2C19-inhibitor: 0.097 CYP2C19-substrate: 0.834
CYP2C9-inhibitor: 0.056 CYP2C9-substrate: 0.092
CYP2D6-inhibitor: 0.01 CYP2D6-substrate: 0.087
CYP3A4-inhibitor: 0.688 CYP3A4-substrate: 0.527

ADMET: Excretion

Clearance (CL): 11.665 Half-life (T1/2): 0.441

ADMET: Toxicity

hERG Blockers: 0.019 Human Hepatotoxicity (H-HT): 0.045
Drug-inuced Liver Injury (DILI): 0.035 AMES Toxicity: 0.008
Rat Oral Acute Toxicity: 0.438 Maximum Recommended Daily Dose: 0.053
Skin Sensitization: 0.174 Carcinogencity: 0.436
Eye Corrosion: 0.956 Eye Irritation: 0.957
Respiratory Toxicity: 0.118
*Note: the ADMET properties was calculated by ADMETlab 2.0. Reference: PMID: 33893803.

Similar Compounds*

Compounds similar to EMNPD with top10 similarity:

Similar NPs Similar Drugs
NPs ID NPs 2D Structure Similarity Score TTD ID Drug 2D Structure Similarity Score
ENC000872 1.000 D04CSZ 0.261
ENC000852 0.487 D07QKN 0.245
ENC000383 0.400 D0H1QY 0.208
ENC001292 0.349 D0K7LU 0.200
ENC004915 0.348 D01CKY 0.195
ENC003266 0.348 D05GKD 0.188
ENC000196 0.333 D06GIP 0.184
ENC002065 0.333 D08KVZ 0.176
ENC002232 0.318 D0P0HT 0.174
ENC000653 0.318 D0V8HA 0.173
*Note: the compound similarity was calculated by RDKIT.