Summary

IMPPAT Phytochemical identifier: IMPHY012882

Phytochemical name: Milimorin

Synonymous chemical names:
milimorin

External chemical identifiers:
CID:5491795, ZINC:ZINC000014644175, SureChEMBL:SCHEMBL5146598

---

Chemical structure information

SMILES:
COc1ccc(c(c1)O)c1oc2cc(O)cc(c2c(=O)c1O)O

InChI:
InChI=1S/C16H12O7/c1-22-8-2-3-9(10(18)6-8)16-15(21)14(20)13-11(19)4-7(17)5-12(13)23-16/h2-6,17-19,21H,1H3

InChIKey:
FIIRWIFMLHSBSP-UHFFFAOYSA-N

DeepSMILES:
COcccccc6)O))cocccO)ccc6c=O)c%10O))))O

Functional groups:
c=O, cO, cOC, coc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2ccccc12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCCCC12

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavonols

NP-Likeness score: 1.433

---

Chemical structure download