Summary

IMPPAT Phytochemical identifier: IMPHY002187

Phytochemical name: Dihydrofoliamenthin

Synonymous chemical names:
dihydrofoliamenthin

External chemical identifiers:
CID:101297685

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Chemical structure information

SMILES:
OC/C=C(/CCCC(C(=O)OC1OC(=O)C2=COC(C(C2C1)C=C)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)C)C

InChI:
InChI=1S/C26H38O12/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/h4,8,12,14-16,18-22,25-31H,1,5-7,9-11H2,2-3H3/b13-8+/t14?,15?,16?,18-,19?,20-,21+,22-,25?,26+/m1/s1

InChIKey:
MLZWMRAJMJNMHR-IRRADOKUSA-N

DeepSMILES:
OC/C=C/CCCCC=O)OCOC=O)C=COCCC6C%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=CC, CC(=O)OC1CC2CC(O[C@@H](C)OC)OC=C2C(=O)O1, 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: Fatty acyls

ClassyFire Subclass: Fatty acyl glycosides

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Secoiridoid monoterpenoids

NP-Likeness score: 3.054

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Chemical structure download