Summary

IMPPAT Phytochemical identifier: IMPHY013577

Phytochemical name: gamma-Cadinol

Synonymous chemical names:
γ-cadinol

External chemical identifiers:
CID:91753503

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Chemical structure information

SMILES:
CC1=CCC2C(C1)[C@H](CC[C@]2(C)O)C(C)C

InChI:
InChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h5,10,12-14,16H,6-9H2,1-4H3/t12-,13?,14?,15+/m1/s1

InChIKey:
INTCVZZCTDGTCB-URGYJCLVSA-N

DeepSMILES:
CC=CCCCC6)[C@H]CC[C@]6C)O))))CC)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCC2CCCCC2C1

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: 2.757

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Chemical structure download