Summary

IMPPAT Phytochemical identifier: IMPHY001477

Phytochemical name: Elliptone

Synonymous chemical names:
elliptone

External chemical identifiers:
CID:160477, ChEMBL:CHEMBL451210, FDASRS:20WIT13R59

---

Chemical structure information

SMILES:
COc1cc2c(cc1OC)OC[C@@H]1[C@H]2C(=O)c2c(O1)c1ccoc1cc2

InChI:
InChI=1S/C20H16O6/c1-22-15-7-12-14(8-16(15)23-2)25-9-17-18(12)19(21)11-3-4-13-10(5-6-24-13)20(11)26-17/h3-8,17-18H,9H2,1-2H3/t17-,18+/m1/s1

InChIKey:
KPSZGBRARBOMHQ-MSOLQXFVSA-N

DeepSMILES:
COcccccc6OC))))OC[C@@H][C@H]6C=O)ccO6)cccoc5cc9

Functional groups:
cC(C)=O, cOC, coc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1c2ccc3occc3c2OC2COc3ccccc3C12

Scaffold Graph/Node level:
OC1C2CCC3OCCC3C2OC2COC3CCCCC3C21

Scaffold Graph level:
CC1C2CCC3CCCC3C2CC2CCC3CCCCC3C21

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Isoflavonoids

ClassyFire Subclass: Rotenoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: Rotenoids

NP-Likeness score: 1.544

---

Chemical structure download