MOLECULE
Valencene
(+)-valencene is a carbobicyclic compound and sesquiterpene that is 1,2,3,4,4a,5,6,7-octahydronaphthalene which is substituted a prop-1-en-2-yl group at position 3 and by methyl groups at positions 4a and 5 (the 3R,4aS,5R- diastereoisomer). It is a sesquiterpene, a polycyclic olefin and a carbobicyclic compound.
Summary from ChEBI, via PubChem.
Identity
Chemistry
- Formula
- C15H24
- Molecular weight
- 204.35 g/mol
- IUPAC name
- (3R,4aS,5R)-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene
- InChIKey
- QEBNYNLSCGVZOH-NFAWXSAZSA-N
- SMILES
- CC1CCC=C2C1(CC(CC2)C(=C)C)C
- PubChem
- CID 9855795 ↗
Provenance
Contributing sources
- PubChem
- ChEBI
- LOTUS
Natural occurrence
Found in
- Mango 3
- Wild Celery 2
- C. deliciosa 2
- Grapefruit 2
- Mandarin orange 2
- Nut-grass 2
- A. chinensis 1
- Chickensage 1
- B. articulata 1
- B. rufescens 1
- B. gibraltaricum 1
- American beautyberry 1
- Selasian Wood 1
- C. grandis 1
- Shaddock 1
- Cascarilla 1
- C. agathophylla 1
- Cardoon 1
- Globe artichoke 1
- African copaiba balsam tree 1
- Wild Carrot 1
- D. hirsuta 1
- E. expansum 1
- E. pandanifolium 1
- E. rostratum 1
- E. vesiculosum 1
- F. pycnantha 1
- Mangostan 1
- Hairy gumweed 1
- H. bracteiferum 1
- H. odoratissimum 1
- Hops 1
- H. hyssopifolium 1
- Pignut 1
- Comitan juniper 1
- L. floribunda 1
- L. multiflora 1
- M. emarginata 1
- Microcitrus 1
- Tobacco 1
- Fine-leaved Water-dropwort 1
- Oregano 1
- Guayule 1
- Gray's feverfew 1
- P. fruticosum 1
- Santa Maria feverfew 1
- Mariola 1
- P. schottii 1
- P. tomentosum 1
- Korean perilla 1
- Avocado 1
- P. tolimanensis 1
- P. hydropiperoides 1
- Small water-pepper 1
- P. acutifolia 1
- Guava 1
- T. annuum 1
- T. nummularius 1
- V. jatamansi 1
- Common Valerian 1
- Baboonwood 1
- V. annua 1
- X. sericea 1
63 organisms, ranked by how many independent papers report the compound in each. Occurrence data from LOTUS, across 52 references.
Pharmacology
Protein interactions
-
cytochrome P450, family 19, subfamily A, polypeptide 1, isoform CRA_a activity 0 uM
-
cytochrome P450, family 2, subfamily C, polypeptide 19 Potency 11.2496 uM
-
GLI family zinc finger 3 Potency 24.3365 uM
-
AR protein Potency 24.3365 uM
-
pregnane X nuclear receptor Potency 38.5708 uM
-
thyroid stimulating hormone receptor Potency 48.5577 uM
-
nuclear factor erythroid 2-related factor 2 isoform 1 Potency 58.829 uM
-
cytochrome P450 family 2 subfamily C polypeptide 9 Potency 63.2609 uM
-
cytochrome P450 family 3 subfamily A polypeptide 4 Potency 70.9799 uM
Laboratory measurements of the compound at its own doses. They do not describe any product that contains it.
Evidence