Summary

IMPPAT Phytochemical identifier: IMPHY001769

Phytochemical name: Glabrachromene I

Synonymous chemical names:
galbrachromene, glabrachromene

External chemical identifiers:
CID:15719487, ZINC:ZINC000034727272, SureChEMBL:SCHEMBL16244791

---

Chemical structure information

SMILES:
COc1cc2OC(C)(C)C=Cc2c(c1C(=O)/C=C/c1ccc2c(c1)OCO2)O

InChI:
InChI=1S/C22H20O6/c1-22(2)9-8-14-17(28-22)11-19(25-3)20(21(14)24)15(23)6-4-13-5-7-16-18(10-13)27-12-26-16/h4-11,24H,12H2,1-3H3/b6-4+

InChIKey:
RJYLDTKZVYKSBL-GQCTYLIASA-N

DeepSMILES:
COcccOCC)C)C=Cc6cc%10C=O)/C=C/cccccc6)OCO5))))))))))))O

Functional groups:
c/C=C/C(c)=O, c1cOCO1, cC=CC, cO, cOC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(C=Cc1ccc2c(c1)OCO2)c1ccc2c(c1)C=CCO2

Scaffold Graph/Node level:
OC(CCC1CCC2OCOC2C1)C1CCC2OCCCC2C1

Scaffold Graph level:
CC(CCC1CCC2CCCC2C1)C1CCC2CCCCC2C1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Linear 1,3-diarylpropanoids

ClassyFire Subclass: Chalcones and dihydrochalcones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Chalcones

NP-Likeness score: 1.755

---

Chemical structure download