Phyto4Health

1-Methyl-4-Prop-1-En-2-Ylcyclohexene

Representations & DB's id

ChEBI: CHEBI:15384
ChEMBL: CHEMBL15799
PubChem: 22311
IUPAC: 1-methyl-4-prop-1-en-2-ylcyclohexene
Standard InChI: InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3
Standard InChI Key: XMGQYMWWDOXHJM-UHFFFAOYSA-N
SMILES: CC1=CCC(CC1)C(=C)C

Molecular propeties

AlogP: 3.31
Hydrogen bonds acceptors: 0
Hydrogen bonds donors: 0
Rotatable bonds: 1
Number of rings: 1
Molecular Weight: 136.13
Topological polar surface area: 0
Number of aromatic rings: 0
Fsp3: 0.6
Number of carbons: 10

Plant sources

Part of plant Plant name Ref.
PlantPunica granatum
PlantInula helenium
PlantPanax ginseng
PlantHypericum perforatum
PlantCoriandrum sativum
PlantCoriandrum sativum
PlantCoriandrum sativum
PlantSchisandra chinensis
PlantSchisandra chinensis
PlantSchisandra chinensis
PlantSchisandra chinensis
PlantCitrus unshiu
PlantCapsella bursa-pastoris
PlantCapsicum annuum
PlantThymus vulgaris
PlantCarum carvi
PlantCarum carvi
PlantAnethum graveolens
PlantAnethum graveolens
PlantAnethum graveolens
PlantAnethum graveolens
PlantFoeniculum vulgare
PlantFoeniculum vulgare
PlantFoeniculum vulgare
PlantFoeniculum vulgare
PlantValeriana officinalis
PlantHumulus lupulus
PlantCrocus sativus
PlantVitis vinifera

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency794.3 nMPrelamin-A/CP02545
Potency3162.3 nMCellular tumor antigen p53P04637
Potency1122018.5 nMNuclear factor erythroid 2-related factor 2Q16236