Summary

IMPPAT Phytochemical identifier: IMPHY011964

Phytochemical name: (-)-beta-Phellandrene

Synonymous chemical names:
(-)-beta-phellandrene

External chemical identifiers:
CID:443161, ChEBI:129, ZINC:ZINC000001531621, FDASRS:V8A8NZ60JW, SureChEMBL:SCHEMBL1306441

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Chemical structure information

SMILES:
CC([C@H]1CCC(=C)C=C1)C

InChI:
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8,10H,3,5,7H2,1-2H3/t10-/m1/s1

InChIKey:
LFJQCDVYDGGFCH-SNVBAGLBSA-N

DeepSMILES:
CC[C@H]CCC=C)C=C6))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C=CCCC1

Scaffold Graph/Node level:
CC1CCCCC1

Scaffold Graph level:
CC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Monocyclic monoterpenoids

NP-Likeness score: 3.438

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Chemical structure download