Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID014409

Phytochemical name: Lonchocarpin

Synonymous chemical names:
lonchocarpin, Lonchocarpin

External chemical identifiers:
CID:CID_6283743, ChEMBL:CHEMBL457644, ZINC:ZINC000005734356, MolPort-005-945-420

---

Chemical structure information

SMILES:
O=C(c1ccc2c(c1O)C=CC(O2)(C)C)/C=C/c1ccccc1

InChI:
InChI=1S/C20H18O3/c1-20(2)13-12-16-18(23-20)11-9-15(19(16)22)17(21)10-8-14-6-4-3-5-7-14/h3-13,22H,1-2H3/b10-8+

InChIKey:
UEXPKLJRGIWQBF-CSKARUKUSA-N

DeepSMILES:
O=Ccccccc6O))C=CCO6)C)C)))))))))/C=C/cccccc6

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(C=Cc1ccccc1)c1ccc2c(c1)C=CCO2

Scaffold Graph/Node level:
OC(CCC1CCCCC1)C1CCC2OCCCC2C1

Scaffold Graph level:
CC(CCC1CCCCC1)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: 1.662

---

Chemical structure download