Summary

IMPPAT Phytochemical identifier: IMPHY014683

Phytochemical name: (R)-(-)-alpha-Phellandrene

Synonymous chemical names:
(-) α-phellandrene, phellandrene, alpha (-)

External chemical identifiers:
CID:442482, ChEMBL:CHEMBL455041, ChEBI:301, ZINC:ZINC000008234325, FDASRS:56UV8X65K0, SureChEMBL:SCHEMBL159519

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Chemical structure information

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

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

InChIKey:
OGLDWXZKYODSOB-SNVBAGLBSA-N

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

Functional groups:
CC1=CCCC=C1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCC=C1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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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: 2.835

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Chemical structure download