Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018276

Phytochemical name: 14-Oxy-delta-cadinene

Synonymous chemical names:
14-Oxy-delta-cadinene

Chemical structure information

SMILES:
OCC1=C[C@]2(C(=C(C)CC[C@@H]2C(C)C)CC1)C

InChI:
InChI=1S/C16H26O/c1-11(2)14-7-5-12(3)15-8-6-13(10-17)9-16(14,15)4/h9,11,14,17H,5-8,10H2,1-4H3/t14-,16-/m1/s1

InChIKey:
GTFFZTIZMZPHNB-GDBMZVCRSA-N

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

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

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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

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Cadinane sesquiterpenoids

NP-Likeness score: 2.401

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Chemical structure download