Summary

IMPPAT Phytochemical identifier: IMPHY014280

Phytochemical name: 11(13)-Dihydrotelekin

Synonymous chemical names:
11(13)-dihydrotelekin

External chemical identifiers:
CID:13992469, ZINC:ZINC000238777886

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Chemical structure information

SMILES:
C[C@@H]1C(=O)O[C@H]2[C@@H]1C[C@@]1(O)C(=C)CCC[C@@]1(C2)C

InChI:
InChI=1S/C15H22O3/c1-9-5-4-6-14(3)8-12-11(7-15(9,14)17)10(2)13(16)18-12/h10-12,17H,1,4-8H2,2-3H3/t10-,11+,12+,14+,15+/m0/s1

InChIKey:
BQRXDZGXKGXLFH-PGKPSXLWSA-N

DeepSMILES:
C[C@@H]C=O)O[C@H][C@@H]5C[C@@]O)C=C)CCC[C@@]6C%10)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCC2CC3OC(=O)CC3CC12

Scaffold Graph/Node level:
CC1CCCC2CC3OC(O)CC3CC12

Scaffold Graph level:
CC1CC2CC3CCCC(C)C3CC2C1

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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: Eudesmane sesquiterpenoids

NP-Likeness score: 3.034

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Chemical structure download