Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000592

Phytochemical name: Millefin

Synonymous chemical names:
Millefin, millefin

External chemical identifiers:
CID:CID_5319830, ChEBI:CHEBI:175476

---

Chemical structure information

SMILES:
CC(=O)OC1C/C=C(\C)/CC(C2C(/C=C/1\C)OC(=O)C2C)OC(=O)C

InChI:
InChI=1S/C19H26O6/c1-10-6-7-15(23-13(4)20)11(2)9-17-18(12(3)19(22)25-17)16(8-10)24-14(5)21/h6,9,12,15-18H,7-8H2,1-5H3/b10-6+,11-9+

InChIKey:
OHMAVTDVTQMMMR-BBYAVRKXSA-N

DeepSMILES:
CC=O)OCC/C=C\C)/CCCC/C=C/%10\C)))OC=O)C5C))))))OC=O)C

Functional groups:
COC(C)=O, C/C=C(\C)C, COC(=O)C

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CCC=CCCC=CC2O1

Scaffold Graph/Node level:
OC1CC2CCCCCCCCC2O1

Scaffold Graph level:
CC1CC2CCCCCCCCC2C1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Terpene lactones

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Germacrane sesquiterpenoids

NP-Likeness score: 2.92

---

Chemical structure download