Summary

IMPPAT Phytochemical identifier: IMPHY010506

Phytochemical name: tatridin A

Synonymous chemical names:
tatridin a

External chemical identifiers:
CID:14466151, ChEMBL:CHEMBL1087406, ZINC:ZINC000100780883

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Chemical structure information

SMILES:
C/C/1=C[C@@H](O)[C@H]2[C@H](/C=C(/[C@H](CC1)O)C)OC(=O)C2=C

InChI:
InChI=1S/C15H20O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6-7,11-14,16-17H,3-5H2,1-2H3/b8-6+,9-7+/t11-,12+,13-,14-/m0/s1

InChIKey:
YMNZWKHEJQGPIA-OBQKTHCVSA-N

DeepSMILES:
C/C=C[C@@H]O)[C@H][C@H]/C=C/[C@H]CC%10))O))C)))OC=O)C5=C

Functional groups:
C/C(C)=C/C, C/C(C)=CC, C=C1CCOC1=O, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C(=O)OC2C=CCCCC=CCC12

Scaffold Graph/Node level:
CC1C(O)OC2CCCCCCCCC21

Scaffold Graph level:
CC1CC2CCCCCCCCC2C1C

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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: 3.336

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Chemical structure download