Summary

IMPPAT Phytochemical identifier: IMPHY010632

Phytochemical name: Kutkosid

Synonymous chemical names:
10-o-vaniloylcatalpol (kutkoside), kutkosid, kutkoside

External chemical identifiers:
CID:129011779

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Chemical structure information

SMILES:
OC[C@H]1O[C@H](O[C@@H]2OC=C[C@@H]3[C@H]2[C@@]2(COC(=O)c4ccc(c(c4)OC)O)O[C@H]2[C@H]3O)[C@@H]([C@H]([C@@H]1O)O)O

InChI:
InChI=1S/C23H28O13/c1-31-12-6-9(2-3-11(12)25)20(30)33-8-23-14-10(15(26)19(23)36-23)4-5-32-21(14)35-22-18(29)17(28)16(27)13(7-24)34-22/h2-6,10,13-19,21-22,24-29H,7-8H2,1H3/t10-,13-,14-,15+,16-,17+,18-,19+,21+,22-,23-/m1/s1

InChIKey:
JANLDILJJLTVDB-NGOGGKKYSA-N

DeepSMILES:
OC[C@H]O[C@H]O[C@@H]OC=C[C@@H][C@H]6[C@@]COC=O)cccccc6)OC)))O))))))))O[C@H]3[C@H]6O))))))))))))[C@@H][C@H][C@@H]6O))O))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(OCC12OC1CC1C=COC(OC3CCCCO3)C12)c1ccccc1

Scaffold Graph/Node level:
OC(OCC12OC1CC1CCOC(OC3CCCCO3)C12)C1CCCCC1

Scaffold Graph level:
CC(CCC12CC1CC1CCCC(CC3CCCCC3)C12)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: 2.37

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Chemical structure download