Summary

IMPPAT Phytochemical identifier: IMPHY002921

Phytochemical name: Germacra-1(10),4,11(13)-trien-12-ol

Synonymous chemical names:
germacra-l(10),4,11(13)-trien-12-ol

External chemical identifiers:
CID:25245123, ChEBI:62090, ZINC:ZINC000015255638, SureChEMBL:SCHEMBL336313

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Chemical structure information

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

InChI:
InChI=1S/C15H24O/c1-12-5-4-6-13(2)8-10-15(9-7-12)14(3)11-16/h5,8,15-16H,3-4,6-7,9-11H2,1-2H3/b12-5+,13-8+/t15-/m1/s1

InChIKey:
NDZJCEAHBZKIDU-KGSGWQTPSA-N

DeepSMILES:
OCC=C)[C@H]C/C=CC)/CC/C=C/CC%10))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=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: 2.553

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Chemical structure download