Summary

IMPPAT Phytochemical identifier: IMPHY002695

Phytochemical name: Solanofuran

Synonymous chemical names:
solanofuran

External chemical identifiers:
CID:14454061, SureChEMBL:SCHEMBL11884802

---

Chemical structure information

SMILES:
CC(=O)CCC(c1occ(c1)C)C(C)C

InChI:
InChI=1S/C13H20O2/c1-9(2)12(6-5-11(4)14)13-7-10(3)8-15-13/h7-9,12H,5-6H2,1-4H3

InChIKey:
NCBKUTILUODENZ-UHFFFAOYSA-N

DeepSMILES:
CC=O)CCCcoccc5)C)))))CC)C

Functional groups:
CC(C)=O, coc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccoc1

Scaffold Graph/Node level:
C1CCOC1

Scaffold Graph level:
C1CCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Heteroaromatic compounds

NP Classifier Biosynthetic pathway: Terpenoids

NP-Likeness score: 0.943

---

Chemical structure download