Summary

IMPPAT Phytochemical identifier: IMPHY008174

Phytochemical name: 2H-1-Benzopyran-2-one, 6-methoxy-7-[(2-oxo-2H-1-benzopyran-7-yl)oxy]-

Synonymous chemical names:
lasiocephalin

External chemical identifiers:
CID:630669, ZINC:ZINC000032287269

---

Chemical structure information

SMILES:
COc1cc2ccc(=O)oc2cc1Oc1ccc2c(c1)oc(=O)cc2

InChI:
InChI=1S/C19H12O6/c1-22-16-8-12-4-7-19(21)25-15(12)10-17(16)23-13-5-2-11-3-6-18(20)24-14(11)9-13/h2-10H,1H3

InChIKey:
VBINWHFILLFRGB-UHFFFAOYSA-N

DeepSMILES:
COcccccc=O)oc6cc%10Occcccc6)oc=O)cc6

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1ccc2ccc(Oc3ccc4ccc(=O)oc4c3)cc2o1

Scaffold Graph/Node level:
OC1CCC2CCC(OC3CCC4CCC(O)OC4C3)CC2O1

Scaffold Graph level:
CC1CCC2CCC(CC3CCC4CCC(C)CC4C3)CC2C1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Coumarins and derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Coumarins

NP Classifier Class: Simple coumarins

NP-Likeness score: 0.349

---

Chemical structure download