Summary

IMPPAT Phytochemical identifier: IMPHY002299

Phytochemical name: Tecoside

Synonymous chemical names:
iridoid glucoside-tecoside, tecoside

External chemical identifiers:
CID:101277358, ZINC:ZINC000238756325

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Chemical structure information

SMILES:
OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@]3([C@H]2[C@](C)(C[C@H]3O)OC(=O)c2ccc(c(c2)OC)OC)O)[C@@H]([C@H]([C@@H]1O)O)O

InChI:
InChI=1S/C24H32O13/c1-23(37-20(30)11-4-5-12(32-2)13(8-11)33-3)9-15(26)24(31)6-7-34-22(19(23)24)36-21-18(29)17(28)16(27)14(10-25)35-21/h4-8,14-19,21-22,25-29,31H,9-10H2,1-3H3/t14-,15-,16-,17+,18-,19-,21+,22+,23+,24-/m1/s1

InChIKey:
XJIOOIYQXBVVLR-BIYAJFLYSA-N

DeepSMILES:
OC[C@H]O[C@@H]O[C@@H]OC=C[C@@][C@H]6[C@]C)C[C@H]5O)))OC=O)cccccc6)OC)))OC))))))))))O)))))))[C@@H][C@H][C@@H]6O))O))O

Functional groups:
CO, CO[C@H](C)O[C@H]1CCC=CO1, cC(=O)OC, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(OC1CCC2C=COC(OC3CCCCO3)C21)c1ccccc1

Scaffold Graph/Node level:
OC(OC1CCC2CCOC(OC3CCCCO3)C21)C1CCCCC1

Scaffold Graph level:
CC(CC1CCC2CCCC(CC3CCCCC3)C21)C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Tannins

ClassyFire Subclass: Hydrolyzable tannins

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Iridoids monoterpenoids

NP-Likeness score: 2.178

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Chemical structure download