Summary

IMPPAT Phytochemical identifier: IMPHY007408

Phytochemical name: Chaplashin

Synonymous chemical names:
chaplashin

External chemical identifiers:
CID:90472917

---

Chemical structure information

SMILES:
COc1cc2oc3-c4ccc(cc4OC(Cc3c(=O)c2c(c1/C=C/C(C)C)O)C(O)(C)C)O

InChI:
InChI=1S/C26H28O7/c1-13(2)6-8-15-18(31-5)12-20-22(23(15)28)24(29)17-11-21(26(3,4)30)32-19-10-14(27)7-9-16(19)25(17)33-20/h6-10,12-13,21,27-28,30H,11H2,1-5H3/b8-6+

InChIKey:
PEZAKJUGIDWOSG-SOFGYWHQSA-N

DeepSMILES:
COcccoc-cccccc6OCCc%11c=O)c%15cc%19/C=C/CC)C)))))O))))))CO)C)C))))))O

Functional groups:
CO, c/C=C/C, c=O, cO, cOC, coc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2c(oc3ccccc13)-c1ccccc1OCC2

Scaffold Graph/Node level:
OC1C2CCCCC2OC2C3CCCCC3OCCC12

Scaffold Graph level:
CC1C2CCCCC2CC2C3CCCCC3CCCC12

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzoxepines

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 2.308

---

Chemical structure download