Summary

IMPPAT Phytochemical identifier: IMPHY004871

Phytochemical name: Maritimetin

Synonymous chemical names:
maritimetin

External chemical identifiers:
CID:5281292, ChEMBL:CHEMBL3298066, ChEBI:6694, ZINC:ZINC000014725429, SureChEMBL:SCHEMBL6808382

---

Chemical structure information

SMILES:
O=C1/C(=C/c2ccc(c(c2)O)O)/Oc2c1ccc(c2O)O

InChI:
InChI=1S/C15H10O6/c16-9-3-1-7(5-11(9)18)6-12-13(19)8-2-4-10(17)14(20)15(8)21-12/h1-6,16-18,20H/b12-6-

InChIKey:
PNIFOHGQPKXLJE-SDQBBNPISA-N

DeepSMILES:
O=C/C=C/cccccc6)O))O))))))/Occ5cccc6O))O

Functional groups:
c/C=C1OccC1=O, cO

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C(=Cc2ccccc2)Oc2ccccc21

Scaffold Graph/Node level:
OC1C(CC2CCCCC2)OC2CCCCC21

Scaffold Graph level:
CC1C(CC2CCCCC2)CC2CCCCC21

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Aurone flavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Aurones

NP-Likeness score: 0.713

---

Chemical structure download