Summary

IMPPAT Phytochemical identifier: IMPHY017887

Phytochemical name: 6alpha-Hydroxygermacra-1(10),4-diene

Synonymous chemical names:
6α-hydroxygermacra-1(10),4-diene

External chemical identifiers:
CID:91753706

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Chemical structure information

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

InChI:
InChI=1S/C15H26/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,9,12,15H,5,7-8,10-11H2,1-4H3/b13-6+,14-9+/t15-/m1/s1

InChIKey:
YDLBHMSVYMFOMI-DFSVIBJJSA-N

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

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCCCC=CCC1

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: Sesquiterpenoids

NP Classifier Class: Germacrane sesquiterpenoids

NP-Likeness score: 2.16

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Chemical structure download