Summary

IMPPAT Phytochemical identifier: IMPHY011957

Phytochemical name: (+)-delta-Cadinene

Synonymous chemical names:
&cadi nene, &cadinene, (+)-delta-cadinene, (+)-δ-cadinene, 6-cadinene*, cadinene, delta, d-cadinene, delta -cadinene, delta cadinene, delta cardinene, delta-cadinene, δ -cadinene, δ-amorphene, δ-cadinene, δ-cadinene d, δ-cadinene*, δcadinene, 𝛿 -cadinene, 𝛿- cadinene, 𝛿- amorphene, 𝛿- cadinene, 𝛿-- cadinene*, 𝛿-cadinene, 𝛿-cadinene*, 𝛿-cadinene+

External chemical identifiers:
CID:441005, ChEMBL:CHEMBL445759, ChEBI:15385, ZINC:ZINC000008220462, FDASRS:7848KI47OS, SureChEMBL:SCHEMBL1760775

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Chemical structure information

SMILES:
CC1=C[C@@H]2C(=C(C)CC[C@H]2C(C)C)CC1

InChI:
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

InChIKey:
FUCYIEXQVQJBKY-ZFWWWQNUSA-N

DeepSMILES:
CC=C[C@@H]C=CC)CC[C@H]6CC)C))))))CC6

Functional groups:
CC(C)=C(C)C, CC(C)=CC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCCC=C2CC1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Cadinane sesquiterpenoids

NP-Likeness score: 2.471

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Chemical structure download