Summary

IMPPAT Phytochemical identifier: IMPHY006515

Phytochemical name: Hedycaryol

Synonymous chemical names:
hedycaryol

External chemical identifiers:
CID:6432240, ChEBI:157729

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Chemical structure information

SMILES:
C/C/1=C/CC/C(=CC[C@H](CC1)C(O)(C)C)/C

InChI:
InChI=1S/C15H26O/c1-12-6-5-7-13(2)9-11-14(10-8-12)15(3,4)16/h6,9,14,16H,5,7-8,10-11H2,1-4H3/b12-6-,13-9-/t14-/m0/s1

InChIKey:
SDMLCXJKAYFHQM-LIJSYYTGSA-N

DeepSMILES:
C/C=C/CC/C=CC[C@H]CC%10))CO)C)C)))))/C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCCCC=CCC1

Scaffold Graph/Node level:
C1CCCCCCCCC1

Scaffold Graph level:
C1CCCCCCCCC1

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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: Germacrane sesquiterpenoids

NP-Likeness score: 2.279

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Chemical structure download