Summary

IMPPAT Phytochemical identifier: IMPHY001200

Phytochemical name: Rheediaxanthone A

Synonymous chemical names:
rheediaxanthone-a

External chemical identifiers:
CID:102060338, ZINC:ZINC000014686335

---

Chemical structure information

SMILES:
Oc1cc2OC(C)(C)C=Cc2c2c1c(=O)c1c(o2)c(O)c2c(c1)C=CC(O2)(C)C

InChI:
InChI=1S/C23H20O6/c1-22(2)8-6-12-15(28-22)10-14(24)16-17(25)13-9-11-5-7-23(3,4)29-19(11)18(26)21(13)27-20(12)16/h5-10,24,26H,1-4H3

InChIKey:
GSAPUFLPLOSGII-UHFFFAOYSA-N

DeepSMILES:
OcccOCC)C)C=Cc6cc%10c=O)cco6)cO)ccc6)C=CCO6)C)C

Functional groups:
c=O, cC=CC, cO, cOC, coc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2cc3c(cc2oc2c4c(ccc12)OCC=C4)OCC=C3

Scaffold Graph/Node level:
OC1C2CC3CCCOC3CC2OC2C3CCCOC3CCC12

Scaffold Graph level:
CC1C2CC3CCCCC3CC2CC2C3CCCCC3CCC12

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzopyrans

ClassyFire Subclass: 1-benzopyrans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Xanthones

NP Classifier Class: Plant xanthones

NP-Likeness score: 2.587

---

Chemical structure download