Summary

IMPPAT Phytochemical identifier: IMPHY008604

Phytochemical name: 1-(7,8-Dimethoxy-2,2-dimethylchromen-6-yl)ethanone

Synonymous chemical names:
methylripariochromene a, methylripariochromene a (6-acetyl-7,8-dimethoxy-2,2-dimethychromene)

External chemical identifiers:
CID:177148, ZINC:ZINC000005167549, SureChEMBL:SCHEMBL5470717

---

Chemical structure information

SMILES:
COc1c2OC(C)(C)C=Cc2cc(c1OC)C(=O)C

InChI:
InChI=1S/C15H18O4/c1-9(16)11-8-10-6-7-15(2,3)19-12(10)14(18-5)13(11)17-4/h6-8H,1-5H3

InChIKey:
AVQQLPJWGXTKFZ-UHFFFAOYSA-N

DeepSMILES:
COccOCC)C)C=Cc6ccc%10OC)))C=O)C

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=Cc2ccccc2OC1

Scaffold Graph/Node level:
C1CCC2OCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzopyrans

ClassyFire Subclass: 1-benzopyrans

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Meroterpenoids

NP Classifier Class: Merohemiterpenoids

NP-Likeness score: 1.732

---

Chemical structure download