Summary

IMPPAT Phytochemical identifier: IMPHY011586

Phytochemical name: (S,1Z,6Z)-8-Isopropyl-1-methyl-5-methylenecyclodeca-1,6-diene

Synonymous chemical names:
germacrane d, germacrene d, germacrene d, germacrene-d, isogermacrene d

External chemical identifiers:
CID:91723653, ZINC:ZINC000062592242, MolPort-046-509-015

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Chemical structure information

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

InChI:
InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h7-8,10,12,15H,3,5-6,9,11H2,1-2,4H3/b10-8-,14-7-/t15-/m0/s1

InChIKey:
GAIBLDCXCZKKJE-ACWLMNNXSA-N

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

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C=CCCCC=CCC1

Scaffold Graph/Node level:
CC1CCCCCCCCC1

Scaffold Graph level:
CC1CCCCCCCCC1

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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: Germacrane sesquiterpenoids

NP-Likeness score: 3.269

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Chemical structure download