Summary

IMPPAT Phytochemical identifier: IMPHY012076

Phytochemical name: (+)-alpha-Phellandrene

Synonymous chemical names:
d-alpha-phellandrene, α-d-phellandrene

External chemical identifiers:
CID:443160, ChEBI:367, ZINC:ZINC000008418983, FDASRS:E45FS72C5K, SureChEMBL:SCHEMBL22497679

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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-/m0/s1

InChIKey:
OGLDWXZKYODSOB-JTQLQIEISA-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