Summary

IMPPAT Phytochemical identifier: IMPHY007897

Phytochemical name: Dihydroisocycloartomunin

Synonymous chemical names:
dihydroisocycloartomunin

External chemical identifiers:
CID:10095293, ChEBI:176142, SureChEMBL:SCHEMBL6700514

---

Chemical structure information

SMILES:
COc1cc2-c3oc4c(CC=C(C)C)c(O)cc(c4c(=O)c3C(Oc2cc1O)C=C(C)C)O

InChI:
InChI=1S/C26H26O7/c1-12(2)6-7-14-16(27)10-18(29)22-24(30)23-21(8-13(3)4)32-19-11-17(28)20(31-5)9-15(19)26(23)33-25(14)22/h6,8-11,21,27-29H,7H2,1-5H3

InChIKey:
JFHXTPDDKBBGNW-UHFFFAOYSA-N

DeepSMILES:
COccc-coccCC=CC)C))))cO)ccc6c=O)c%10COc%14cc%18O)))))C=CC)C)))))))O

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2c(oc3ccccc13)-c1ccccc1OC2

Scaffold Graph/Node level:
OC1C2CCCCC2OC2C3CCCCC3OCC12

Scaffold Graph level:
CC1C2CCCCC2CC2C3CCCCC3CCC12

---

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: Flavones

NP-Likeness score: 2.33

---

Chemical structure download