Summary

IMPPAT Phytochemical identifier: IMPHY012886

Phytochemical name: Calozeyloxanthone

Synonymous chemical names:
calozeyloxanthone

External chemical identifiers:
CID:5495849, ZINC:ZINC000013382749

---

Chemical structure information

SMILES:
CC1=C[C@@H]2[C@H](CC1)C(C)(C)Oc1c2c2c(cc1)oc1c(c2=O)c(O)cc(c1)O

InChI:
InChI=1S/C23H22O5/c1-11-4-5-14-13(8-11)19-17(28-23(14,2)3)7-6-16-21(19)22(26)20-15(25)9-12(24)10-18(20)27-16/h6-10,13-14,24-25H,4-5H2,1-3H3/t13-,14+/m1/s1

InChIKey:
RBXROYGIOKBJIU-KGLIPLIRSA-N

DeepSMILES:
CC=C[C@@H][C@H]CC6))CC)C)Occ6cccc6))occc6=O))cO)ccc6)O

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2ccccc2oc2ccc3c(c12)C1C=CCCC1CO3

Scaffold Graph/Node level:
OC1C2CCCCC2OC2CCC3OCC4CCCCC4C3C21

Scaffold Graph level:
CC1C2CCCCC2CC2CCC3CCC4CCCCC4C3C21

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzopyrans

ClassyFire Subclass: 1-benzopyrans

NP Classifier Biosynthetic pathway: Polyketides, Shikimates and Phenylpropanoids

NP Classifier Superclass: Xanthones

NP Classifier Class: Methyl xanthones

NP-Likeness score: 2.348

---

Chemical structure download