Summary

IMPPAT Phytochemical identifier: IMPHY015988

Phytochemical name: Xambioona

Synonymous chemical names:
xambioona

External chemical identifiers:
CID:14769500

---

Chemical structure information

SMILES:
O=C1CC(Oc2c1ccc1c2C=CC(O1)(C)C)c1ccc2c(c1)C=CC(O2)(C)C

InChI:
InChI=1S/C25H24O4/c1-24(2)11-9-16-13-15(5-7-20(16)28-24)22-14-19(26)17-6-8-21-18(23(17)27-22)10-12-25(3,4)29-21/h5-13,22H,14H2,1-4H3

InChIKey:
FGJUXFVUOCKRCY-UHFFFAOYSA-N

DeepSMILES:
O=CCCOcc6cccc6C=CCO6)C)C)))))))))))cccccc6)C=CCO6)C)C

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccc3c(c2)C=CCO3)Oc2c1ccc1c2C=CCO1

Scaffold Graph/Node level:
OC1CC(C2CCC3OCCCC3C2)OC2C1CCC1OCCCC12

Scaffold Graph level:
CC1CC(C2CCC3CCCCC3C2)CC2C1CCC1CCCCC12

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Pyranoflavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavanones

NP-Likeness score: 2.048

---

Chemical structure download