Summary

IMPPAT Phytochemical identifier: IMPHY004463

Phytochemical name: Surangin A

Synonymous chemical names:
surangin a

External chemical identifiers:
CID:5321563

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Chemical structure information

SMILES:
CCCc1cc(=O)oc2c1c(O)c(C/C=C(/CCC=C(C)C)C)c(c2C(=O)C(CC)C)O

InChI:
InChI=1S/C27H36O5/c1-7-10-19-15-21(28)32-27-22(19)25(30)20(14-13-17(5)12-9-11-16(3)4)26(31)23(27)24(29)18(6)8-2/h11,13,15,18,30-31H,7-10,12,14H2,1-6H3/b17-13+

InChIKey:
HTVCZGDEKPMUHH-GHRIWEEISA-N

DeepSMILES:
CCCccc=O)occ6cO)cC/C=C/CCC=CC)C)))))C))))cc6C=O)CCC))C))))O

Functional groups:
C/C=C(/C)C, CC=C(C)C, c=O, cC(C)=O, cO, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1ccc2ccccc2o1

Scaffold Graph/Node level:
OC1CCC2CCCCC2O1

Scaffold Graph level:
CC1CCC2CCCCC2C1

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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: Shikimates and Phenylpropanoids

NP Classifier Superclass: Coumarins

NP Classifier Class: Simple coumarins

NP-Likeness score: 2.051

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Chemical structure download