Summary

IMPPAT Phytochemical identifier: IMPHY000511

Phytochemical name: Cardiofolioside B

Synonymous chemical names:
cardiofolioside b

Chemical structure information

SMILES:
OC/C=C/c1cc(OC)c(c(c1)OC)O[C@@H]1OC[C@]([C@H]1O)(O)CO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O

InChI:
InChI=1S/C22H32O13/c1-30-12-6-11(4-3-5-23)7-13(31-2)18(12)35-21-19(28)22(29,10-33-21)9-32-20-17(27)16(26)15(25)14(8-24)34-20/h3-4,6-7,14-17,19-21,23-29H,5,8-10H2,1-2H3/b4-3+/t14-,15-,16+,17-,19+,20-,21+,22-/m1/s1

InChIKey:
XNRNMZHKPPTZBP-AIGGHFQNSA-N

DeepSMILES:
OC/C=C/cccOC))ccc6)OC)))O[C@@H]OC[C@][C@H]5O))O)CO[C@@H]O[C@H]CO))[C@H][C@@H][C@H]6O))O))O

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(OC2CC(COC3CCCCO3)CO2)cc1

Scaffold Graph/Node level:
C1CCC(OC2CC(COC3CCCCO3)CO2)CC1

Scaffold Graph level:
C1CCC(CCC2CCC(CC3CCCCC3)C2)CC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbohydrates and carbohydrate conjugates

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Iridoids monoterpenoids

NP-Likeness score: 1.986

---

Chemical structure download