Summary

IMPPAT Phytochemical identifier: IMPHY013572

Phytochemical name: trans-Muurola-4(14),5-diene

Synonymous chemical names:
epi-bicyclosesquiphellandrene, trans-muurola-4(14), 5-diene, trans-muurola-4(14),5-diene

External chemical identifiers:
CID:91747125, ChEBI:88632

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Chemical structure information

SMILES:
C=C1CCC2C(=C1)[C@H](CC[C@@H]2C)C(C)C

InChI:
InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,12-14H,3,5-8H2,1-2,4H3/t12-,13+,14?/m0/s1

InChIKey:
RNDFUOKDULDZPR-WLDKUNSKSA-N

DeepSMILES:
C=CCCCC=C6)[C@H]CC[C@@H]6C))))CC)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C=C2CCCCC2CC1

Scaffold Graph/Node level:
CC1CCC2CCCCC2C1

Scaffold Graph level:
CC1CCC2CCCCC2C1

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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: 2.835

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Chemical structure download