(+)-delta-Cadinene
| Compound Structure: |
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| Synonyms: | (+)-delta-Cadinene;483-76-1;DELTA-CADINENE;(1S,8aR)-1-Isopropyl-4,7-dimethyl-1,2,3,5,6,8a-hexahydronaphthalene;D-Cadinene;(+)-D-Cadinene;Cadina-1(10),4-diene;CHEBI:15385;7848KI47OS | ||||||||||||||||||||||||||||||||||||||||
| Compound ID: | NMPC-464 | ||||||||||||||||||||||||||||||||||||||||
| PubChem ID: | |||||||||||||||||||||||||||||||||||||||||
| Molecular Formula: | C15H24 | ||||||||||||||||||||||||||||||||||||||||
| Canonical SMILES: | CC1=CC2C(CCC(=C2CC1)C)C(C)C | ||||||||||||||||||||||||||||||||||||||||
| InChIKey: | FUCYIEXQVQJBKY-ZFWWWQNUSA-N | ||||||||||||||||||||||||||||||||||||||||
| About the compound: | Delta-cadinene is a notable member of the cadinene family, a group of isomeric hydrocarbons prevalent in numerous essential oil-producing flora. The name "cadinene" originates from Cade juniper (Juniperus oxycedrus L.), noted for its wood-derived oil where the initial isolation of cadinene isomers occurred. Structurally, cadinenes are identified as bicyclic sesquiterpenes, with delta-cadinene being specifically denoted by its IUPAC designation as (1S,8aR)-4,7-dimethyl-1-(propan-2-yl)-1,2,3,5,6,8a-hexahydronaphthalene. Characteristic of this compound are its double bonds at the 4-4a and 7-8 positions, and an isopropyl group at the 1 position that is cis to the hydrogen at the neighboring bridgehead carbon. Its role in volatile oils underscores its inclusion in the complex mixtures of volatiles emanating from plants[1,2]. With a chemical formula of C15H24 and a molecular weight of 204.35106 g/mol, delta-cadinene offers a complex and intriguing molecular structure. Its architecture highlights a bicyclic framework and an arrangement of carbon and hydrogen atoms that lend to its distinct characteristics. The (+)-delta-Cadinene molecule is constituted by 40 bonds, inclusive of 16 non-hydrogen bonds, 2 multiple bonds, 1 rotatable bond, 2 double bonds, as well as 2 six-membered rings and 1 ten-membered ring, marking its complexity. Delta-cadinene is a component of the essential oils from various plant sources, contributing to their fragrance and the potential medicinal benefits they offer[3]. Reference 1. Wikipedia contributors. Cadinenes. Wikipedia, The Free Encyclopedia. Retrieved from https://en.wikipedia.org/wiki/Cadinenes. 2. ChEBI. (+)-delta-cadinene (CHEBI:15385). European Bioinformatics Institute. Retrieved from https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:15385. 3. MolInstincts. (+)-delta-Cadinene Structure - C15H24. Retrieved from https://www.molinstincts.com. GHS Hazard Statements • H304 (100%): May be fatal if swallowed and enters airways [Danger Aspiration hazard] • H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
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| Properties: |
Chemical
and Physical Properties
Source:
PubChem |
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| Source Species: |
Daniellia oliveri Gmelina arborea Gongronema latifolium Pachira glabra Senna podocarpa Taxodium distichum Eugenia uniflora Centratherum punctatum Morinda lucida Plumeria alba Tecoma stans |