Summary

IMPPAT Phytochemical identifier: IMPHY012970

Phytochemical name: Germacrane

Synonymous chemical names:
germacrane

External chemical identifiers:
CID:9548707, ZINC:ZINC000064624189

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Chemical structure information

SMILES:
C[C@@H]1CCC[C@H](C)CCC(CC1)C(C)C

InChI:
InChI=1S/C15H30/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h12-15H,5-11H2,1-4H3/t13-,14+,15?

InChIKey:
IBMAYSYTZAVZPY-YIONKMFJSA-N

DeepSMILES:
C[C@@H]CCC[C@H]C)CCCCC%10))CC)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCCCCCCCC1

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: Monoterpenoids

NP Classifier Class: Menthane monoterpenoids

NP-Likeness score: 0.303

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Chemical structure download