Summary

IMPPAT Phytochemical identifier: IMPHY014814

Phytochemical name: Archangelenone

Synonymous chemical names:
archangelenone

External chemical identifiers:
CID:71586977, ChEBI:66460, FDASRS:AG84U27TWU

---

Chemical structure information

SMILES:
CC(=CCOc1ccc(cc1)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O)C

InChI:
InChI=1S/C20H20O5/c1-12(2)7-8-24-15-5-3-13(4-6-15)18-11-17(23)20-16(22)9-14(21)10-19(20)25-18/h3-7,9-10,18,21-22H,8,11H2,1-2H3/t18-/m0/s1

InChIKey:
GYSDUVRPSWKYDJ-SFHVURJKSA-N

DeepSMILES:
CC=CCOcccccc6))[C@@H]CC=O)ccO6)cccc6O)))O)))))))))))))))C

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccccc2)Oc2ccccc21

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCCCC12

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavanones

NP-Likeness score: 1.682

---

Chemical structure download