Summary

IMPPAT Phytochemical identifier: IMPHY008778

Phytochemical name: Feruginidin

Synonymous chemical names:
feruginidin

External chemical identifiers:
CID:184086

---

Chemical structure information

SMILES:
OCC1=CCC2([C@@H](C(C1)OC(=O)c1ccc(cc1)O)[C@](CC2)(O)C(C)C)C

InChI:
InChI=1S/C22H30O5/c1-14(2)22(26)11-10-21(3)9-8-15(13-23)12-18(19(21)22)27-20(25)16-4-6-17(24)7-5-16/h4-8,14,18-19,23-24,26H,9-13H2,1-3H3/t18?,19-,21?,22-/m1/s1

InChIKey:
FPUSCWGZFFIOSW-XZJNEJNUSA-N

DeepSMILES:
OCC=CCC[C@@H]CC7)OC=O)cccccc6))O))))))))[C@]CC5))O)CC)C))))C

Functional groups:
CC=C(C)C, CO, cC(=O)OC, cO

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(OC1CC=CCC2CCCC21)c1ccccc1

Scaffold Graph/Node level:
OC(OC1CCCCC2CCCC21)C1CCCCC1

Scaffold Graph level:
CC(CC1CCCCC2CCCC21)C1CCCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Daucane sesquiterpenoids

NP-Likeness score: 2.504

---

Chemical structure download