Summary

IMPPAT Phytochemical identifier: IMPHY012752

Phytochemical name: Surinamensin

Synonymous chemical names:
surinamensin

External chemical identifiers:
CID:5281868, ChEMBL:CHEMBL2313009, ChEBI:9365

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Chemical structure information

SMILES:
C/C=C/c1ccc(c(c1)OC)O[C@@H]([C@@H](c1cc(OC)c(c(c1)OC)OC)O)C

InChI:
InChI=1S/C22H28O6/c1-7-8-15-9-10-17(18(11-15)24-3)28-14(2)21(23)16-12-19(25-4)22(27-6)20(13-16)26-5/h7-14,21,23H,1-6H3/b8-7+/t14-,21+/m1/s1

InChIKey:
LNEPYGTUEWFPKT-BUNWUOFNSA-N

DeepSMILES:
C/C=C/cccccc6)OC)))O[C@@H][C@@H]cccOC))ccc6)OC)))OC))))))O))C

Functional groups:
CO, c/C=C/C, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(CCOc2ccccc2)cc1

Scaffold Graph/Node level:
C1CCC(CCOC2CCCCC2)CC1

Scaffold Graph level:
C1CCC(CCCC2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lignans, neolignans and related compounds

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Lignans

NP Classifier Class: Neolignans

NP-Likeness score: 0.796

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Chemical structure download