Summary

IMPPAT Phytochemical identifier: IMPHY017884

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

Synonymous chemical names:
z-muurola-4(14),5-diene

External chemical identifiers:
CID:91753565

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Chemical structure information

SMILES:
C[C@H]1CCC2C(=C1)C(=C(C)C)CC[C@@H]2C

InChI:
InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9,11-12,14H,5-8H2,1-4H3/t11-,12-,14?/m0/s1

InChIKey:
MQZUSOMHYYKABS-VHBIQUBJSA-N

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

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCC2CCCC=C12

Scaffold Graph/Node level:
CC1CCCC2CCCCC12

Scaffold Graph level:
CC1CCCC2CCCCC12

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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: 2.1

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Chemical structure download