Summary

IMPPAT Phytochemical identifier: IMPHY012470

Phytochemical name: 2-Methylchromone

Synonymous chemical names:
2-me-chromone, 2-methylchromone

External chemical identifiers:
CID:252690, ChEMBL:CHEMBL175591, ZINC:ZINC000000162896, SureChEMBL:SCHEMBL123427, MolPort-001-798-160

---

Chemical structure information

SMILES:
Cc1cc(=O)c2c(o1)cccc2

InChI:
InChI=1S/C10H8O2/c1-7-6-9(11)8-4-2-3-5-10(8)12-7/h2-6H,1H3

InChIKey:
PXPNSQMWVPLERM-UHFFFAOYSA-N

DeepSMILES:
Cccc=O)cco6)cccc6

Functional groups:
c=O, coc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1ccoc2ccccc12

Scaffold Graph/Node level:
OC1CCOC2CCCCC12

Scaffold Graph level:
CC1CCCC2CCCCC12

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzopyrans

ClassyFire Subclass: 1-benzopyrans

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Chromanes

NP Classifier Class: Chromones

NP-Likeness score: 0.447

---

Chemical structure download