Summary

IMPPAT Phytochemical identifier: IMPHY017038

Phytochemical name: Alloisolongifolene

Synonymous chemical names:
allo-isolongifolene

External chemical identifiers:
CID:1268122, ZINC:ZINC000001081291

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Chemical structure information

SMILES:
CC(=C)[C@]12CCC[C@]3([C@@H]2CC[C@]3(C1)C)C

InChI:
InChI=1S/C15H24/c1-11(2)15-8-5-7-14(4)12(15)6-9-13(14,3)10-15/h12H,1,5-10H2,2-4H3/t12-,13-,14?,15-/m0/s1

InChIKey:
MTBNHGFRLZSOTC-NZATWWQASA-N

DeepSMILES:
CC=C)[C@@]CCC[C@][C@@H]6CC[C@]5C%10)C)))))C

Functional groups:
C=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CC3CCC2C3C1

Scaffold Graph/Node level:
C1CC2CC3CCC2C3C1

Scaffold Graph level:
C1CC2CC3CCC2C3C1

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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: Sesquiterpenoids

NP Classifier Class: Eudesmane sesquiterpenoids

NP-Likeness score: 2.667

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Chemical structure download