Summary

IMPPAT Phytochemical identifier: IMPHY006418

Phytochemical name: (6E,8E)-4,6,8-Megastigmatriene

Synonymous chemical names:
(6e,8e)-4,6,8-megastigmatriene

External chemical identifiers:
CID:5369483

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Chemical structure information

SMILES:
C/C=C/C=C/1C(=CCCC1(C)C)C

InChI:
InChI=1S/C13H20/c1-5-6-9-12-11(2)8-7-10-13(12,3)4/h5-6,8-9H,7,10H2,1-4H3/b6-5+,12-9+

InChIKey:
BYDQKMZEOZVIJM-HFACTSAFSA-N

DeepSMILES:
C/C=C/C=CC=CCCC6C)C)))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C=CCCC1

Scaffold Graph/Node level:
CC1CCCCC1

Scaffold Graph level:
CC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Branched unsaturated hydrocarbons

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Apocarotenoids

NP Classifier Class: Apocarotenoids (β-), Apocarotenoids(ε-), Megastigmanes

NP-Likeness score: 2.325

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Chemical structure download