Summary

IMPPAT Phytochemical identifier: IMPHY010167

Phytochemical name: Foliamenthin

Synonymous chemical names:
foliamenthin

External chemical identifiers:
CID:76967939, FDASRS:4232720J14

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Chemical structure information

SMILES:
OC/C=C(/CC/C=C(/C(=O)OC1OC(=O)C2=COC([C@@H]([C@@H]2C1)C=C)O[C@H]1O[C@@H](CO)[C@@H]([C@H]([C@@H]1O)O)O)C)C

InChI:
InChI=1S/C26H36O12/c1-4-15-16-10-19(36-23(32)14(3)7-5-6-13(2)8-9-27)37-24(33)17(16)12-34-25(15)38-26-22(31)21(30)20(29)18(11-28)35-26/h4,7-8,12,15-16,18-22,25-31H,1,5-6,9-11H2,2-3H3/b13-8+,14-7+/t15-,16+,18+,19?,20+,21-,22+,25?,26-/m1/s1

InChIKey:
BGEODRYTLBLROB-AXCNTMPCSA-N

DeepSMILES:
OC/C=C/CC/C=C/C=O)OCOC=O)C=COC[C@@H][C@@H]6C%10))C=C)))O[C@H]O[C@@H]CO))[C@@H][C@H][C@@H]6O))O))O)))))))))))))))C)))))C

Functional groups:
C/C=C(/C)C, C/C=C(C)C(=O)OC1C[C@H]2CC(O[C@H](C)OC)OC=C2C(=O)O1, C=CC, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1OCCC2CC(OC3CCCCO3)OC=C12

Scaffold Graph/Node level:
OC1OCCC2CC(OC3CCCCO3)OCC21

Scaffold Graph level:
CC1CCCC2CC(CC3CCCCC3)CCC12

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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: Monoterpenoids

NP Classifier Class: Secoiridoid monoterpenoids

NP-Likeness score: 3.206

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Chemical structure download