Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID011086

Phytochemical name: Hydroxygermacrene

Synonymous chemical names:
hydroxygermacrene

External chemical identifiers:
CID:CID_91747166

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Chemical structure information

SMILES:
OCC([C@H]1C/C=C(\C)/CC/C=C(/CC1)\C)C

InChI:
InChI=1S/C15H26O/c1-12-5-4-6-13(2)8-10-15(9-7-12)14(3)11-16/h5,8,14-16H,4,6-7,9-11H2,1-3H3/b12-5+,13-8+/t14?,15-/m1/s1

InChIKey:
RGQPCXBXPJFJIT-SJOYNVSQSA-N

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

Functional groups:
CO, 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: 2.355

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Chemical structure download