Summary

IMPPAT Phytochemical identifier: IMPHY000252

Phytochemical name: Eukovoside

Synonymous chemical names:
eukovoside

External chemical identifiers:
CID:102158748

---

Chemical structure information

SMILES:
OC[C@H]1O[C@@H](OC(=O)CCc2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1OC(=O)/C=C/c1ccc(c(c1)O)OC)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O

InChI:
InChI=1S/C31H38O16/c1-14-24(38)25(39)26(40)30(43-14)47-29-27(41)31(46-23(37)10-6-15-3-7-17(33)18(34)11-15)44-21(13-32)28(29)45-22(36)9-5-16-4-8-20(42-2)19(35)12-16/h3-5,7-9,11-12,14,21,24-35,38-41H,6,10,13H2,1-2H3/b9-5+/t14-,21+,24-,25+,26+,27+,28+,29+,30-,31-/m0/s1

InChIKey:
NYVFUEUOKRKEEW-GVXJDIHUSA-N

DeepSMILES:
OC[C@H]O[C@@H]OC=O)CCcccccc6)O))O)))))))))[C@@H][C@H][C@@H]6OC=O)/C=C/cccccc6)O))OC)))))))))))O[C@@H]O[C@@H]C)[C@@H][C@H][C@H]6O))O))O)))))))O

Functional groups:
CC(=O)O[C@@H](C)OC, CO, CO[C@H](C)OC, c/C=C/C(=O)OC, cO, cOC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(C=Cc1ccccc1)OC1COC(OC(=O)CCc2ccccc2)CC1OC1CCCCO1

Scaffold Graph/Node level:
OC(CCC1CCCCC1)OC1CC(OC2CCCCO2)C(OC(O)CCC2CCCCC2)CO1

Scaffold Graph level:
CC(CCC1CCCCC1)CC1CCC(CC(C)CCC2CCCCC2)C(CC2CCCCC2)C1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Cinnamic acids and derivatives

ClassyFire Subclass: Hydroxycinnamic acids and derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylpropanoids (C6-C3)

NP Classifier Class: Cinnamic acids and derivatives

NP-Likeness score: 1.765

---

Chemical structure download