Summary

IMPPAT Phytochemical identifier: IMPHY011110

Phytochemical name: Sonchuside G

Synonymous chemical names:
sonchuside g

External chemical identifiers:
CID:101833771

---

Chemical structure information

SMILES:
O=C[C@@H]1CC[C@H]([C@]2([C@H]1[C@H]1OC[C@H]([C@@H]1CC2)C)C)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O

InChI:
InChI=1S/C21H34O8/c1-10-9-27-19-12(10)5-6-21(2)14(4-3-11(7-22)15(19)21)29-20-18(26)17(25)16(24)13(8-23)28-20/h7,10-20,23-26H,3-6,8-9H2,1-2H3/t10-,11+,12+,13-,14-,15-,16-,17+,18-,19+,20+,21+/m1/s1

InChIKey:
NHSCYOOZTSLZBS-XOBDASQOSA-N

DeepSMILES:
O=C[C@@H]CC[C@H][C@][C@H]6[C@H]OC[C@H][C@@H]5CC9)))C))))))C))O[C@@H]O[C@H]CO))[C@H][C@@H][C@H]6O))O))O

Functional groups:
CC=O, CO, COC, CO[C@@H](C)OC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC(OC2CCCC3C2CCC2CCOC23)OC1

Scaffold Graph/Node level:
C1CCC(OC2CCCC3C2CCC2CCOC23)OC1

Scaffold Graph level:
C1CCC(CC2CCCC3C4CCCC4CCC23)CC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Naphthofurans

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Diterpenoids

NP-Likeness score: 2.746

---

Chemical structure download