Summary

IMPPAT Phytochemical identifier: IMPHY004777

Phytochemical name: 2,3-Dehydrokievitol

Synonymous chemical names:
2,3-dehydrokievitol

External chemical identifiers:
CID:44257318, ChEBI:175756, ZINC:ZINC000014762975

---

Chemical structure information

SMILES:
OC/C(=C/Cc1c(O)cc(c2c1occ(c2=O)c1ccc(cc1O)O)O)/C

InChI:
InChI=1S/C20H18O7/c1-10(8-21)2-4-13-16(24)7-17(25)18-19(26)14(9-27-20(13)18)12-5-3-11(22)6-15(12)23/h2-3,5-7,9,21-25H,4,8H2,1H3/b10-2+

InChIKey:
UFCGXNZEVGKUQA-WTDSWWLTSA-N

DeepSMILES:
OC/C=C/CccO)cccc6occc6=O))cccccc6O)))O))))))))))O)))))))/C

Functional groups:
C/C=C(/C)C, CO, c=O, cO, coc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c(-c2ccccc2)coc2ccccc12

Scaffold Graph/Node level:
OC1C(C2CCCCC2)COC2CCCCC21

Scaffold Graph level:
CC1C2CCCCC2CCC1C1CCCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Isoflavonoids

ClassyFire Subclass: Isoflav-2-enes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: Isoflavones

NP-Likeness score: 2.198

---

Chemical structure download