Summary

IMPPAT Phytochemical identifier: IMPHY015699

Phytochemical name: Germacradienol

Synonymous chemical names:
germacradienol

External chemical identifiers:
CID:16667385, ChEBI:46734, ZINC:ZINC000030730225

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Chemical structure information

SMILES:
C[C@H]1CC/C=C(C)/CC[C@H](/C=C/1)C(O)(C)C

InChI:
InChI=1S/C15H26O/c1-12-6-5-7-13(2)9-11-14(10-8-12)15(3,4)16/h6,9,11,13-14,16H,5,7-8,10H2,1-4H3/b11-9+,12-6+/t13-,14+/m0/s1

InChIKey:
ZVZPKUXZGROCDB-IFRRKGDKSA-N

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

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCCC=CCCC1

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: 2.877

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Chemical structure download