Summary

IMPPAT Phytochemical identifier: IMPHY002350

Phytochemical name: Germacranolide

Synonymous chemical names:
germacranolide, germacronolide

External chemical identifiers:
CID:101616641

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Chemical structure information

SMILES:
C/C/1=C/[C@H]2OC(=O)[C@H]([C@@H]2[C@H](/C=C([C@H](CC1)O)/C)O)C

InChI:
InChI=1S/C15H22O4/c1-8-4-5-11(16)9(2)7-12(17)14-10(3)15(18)19-13(14)6-8/h6-7,10-14,16-17H,4-5H2,1-3H3/b8-6-,9-7-/t10-,11-,12-,13+,14+/m0/s1

InChIKey:
XTPXQIMSDYOFGC-MTPOGZBESA-N

DeepSMILES:
C/C=C/[C@H]OC=O)[C@H][C@@H]5[C@H]/C=C[C@H]CC%13))O))/C)))O)))C

Functional groups:
C/C(C)=C/C, C/C(C)=CC, CC(=O)OC, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CC=CCCCC=CC2O1

Scaffold Graph/Node level:
OC1CC2CCCCCCCCC2O1

Scaffold Graph level:
CC1CC2CCCCCCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Terpene lactones

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Germacrane sesquiterpenoids

NP-Likeness score: 3.26

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Chemical structure download