Phyto4Health

Alpha-Pinene

Representations & DB's id

ChEBI: CHEBI:36740
ChEMBL: CHEMBL442565
PubChem: 6654
IUPAC: 4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
Standard InChI: InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3
Standard InChI Key: GRWFGVWFFZKLTI-UHFFFAOYSA-N
SMILES: CC1=CCC2CC1C2(C)C

Molecular propeties

AlogP: 3
Hydrogen bonds acceptors: 0
Hydrogen bonds donors: 0
Rotatable bonds: 0
Number of rings: 3
Molecular Weight: 136.13
Topological polar surface area: 0
Number of aromatic rings: 0
Fsp3: 0.8
Number of carbons: 10

Plant sources

Part of plant Plant name Ref.
PlantPunica granatum
PlantInula helenium
RhizomeAcorus calamus
Root Essent. OilPanax ginseng
RootPanax ginseng
Fruit Essent. OilHypericum perforatum
Leaf Essent. OilHypericum perforatum
Shoot Essent. OilHypericum perforatum
PlantHypericum perforatum
FruitCoriandrum sativum
Essential OilCoriandrum sativum
Seed Essent. OilCoriandrum sativum
Husk Essent. OilZea mays
FructusSchisandra chinensis
PlantCitrus unshiu
FruitCapsicum annuum
Essential OilThymus vulgaris
PlantThymus vulgaris
Seed Essent. OilFoeniculum vulgare
Essential OilFoeniculum vulgare
SeedFoeniculum vulgare
PlantFoeniculum vulgare
FruitFoeniculum vulgare
Root Essent. OilFoeniculum vulgare
Root Essent. OilValeriana officinalis
RootValeriana officinalis
Rhizome Essent. OilValeriana officinalis
LeafValeriana officinalis
Essential OilValeriana officinalis
Leaf Essent. OilValeriana officinalis
Essential OilHumulus lupulus
FruitHumulus lupulus
Silk Stigma StyleCrocus sativus
PlantVitis vinifera

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency6309.6 nMThyroid stimulating hormone receptorP16473
Potency39810.7 nMMAP kinase ERK2P28482
Potency6309.6 nMThyroid stimulating hormone receptorP16473
Potency42163.2 nMNuclear receptor ROR-gammaP51449