Structure Database (LMSD)
Common Name
(+)-delta-Cadinene
Systematic Name
Synonyms
3D model of (+)-delta-Cadinene
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Level 4 Class
Biological Context
(+)-δ-Cadinene is a sesquiterpene that has been found in upland cotton (G. hirsutum) and has antibacterial, insecticidal, and anticancer activities.1,2,3,4 It is active against S. pneumoniae (MIC = 31.25 µg/ml) and induces mortality in A. stephensi, A. aegypti, and C. quinquefasciatus third instar larvae (LC50s = 8.23, 9.03, and 9.86 µg/ml, respectively).2,3 (+)-δ-Cadinene (10, 50, and 100 µM) induces apoptosis in and inhibits proliferation of OVCAR-3 human ovarian cancer cells.4
This information has been provided by Cayman Chemical
References
1. Davis, G.D., and Essenberg, M. (+)-δ-Cadinene is a product of sesquiterpene cyclase activity in cotton. Phytochemistry 39(3), 553-567 (1995).
2. Pérez-López, A., Cirio, A.T., Rivas-Galindo, V.M., et al. Activity against Streptococcus pneumoniae of the essential oil and δ-cadinene isolated from Schinus molle fruit. J. Essent. Oil Res. 23(5), 25-28 (2011).
String Representations
InChiKey (Click to copy)
FUCYIEXQVQJBKY-ZFWWWQNUSA-N
InChi (Click to copy)
InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13,15H,5-8H2,1-4H3/t13-,15-/m0/s1
SMILES (Click to copy)
[C@@]12([H])C=C(CCC1=C(C)CC[C@H]2C(C)C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
15
Rings
2
Aromatic Rings
0
Rotatable Bonds
1
Van der Waals Molecular Volume
238.06
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
logP
4.73
Molar Refractivity
66.74
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Updated at
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