Summary

IMPPAT Phytochemical identifier: IMPHY000776

Phytochemical name: Licoricidin

Synonymous chemical names:
licoricidin

External chemical identifiers:
CID:480865, ChEMBL:CHEMBL1929043, ChEBI:69082, ZINC:ZINC000005854565, FDASRS:929XTD20VK, SureChEMBL:SCHEMBL22704769, MolPort-006-668-605

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Chemical structure information

SMILES:
COc1c2C[C@@H](COc2cc(c1CC=C(C)C)O)c1ccc(c(c1O)CC=C(C)C)O

InChI:
InChI=1S/C26H32O5/c1-15(2)6-8-19-22(27)11-10-18(25(19)29)17-12-21-24(31-14-17)13-23(28)20(26(21)30-5)9-7-16(3)4/h6-7,10-11,13,17,27-29H,8-9,12,14H2,1-5H3/t17-/m0/s1

InChIKey:
GBRZTUJCDFSIHM-KRWDZBQOSA-N

DeepSMILES:
COccC[C@@H]COc6ccc%10CC=CC)C)))))O))))))cccccc6O))CC=CC)C)))))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(C2COc3ccccc3C2)cc1

Scaffold Graph/Node level:
C1CCC(C2COC3CCCCC3C2)CC1

Scaffold Graph level:
C1CCC(C2CCC3CCCCC3C2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Isoflavonoids

ClassyFire Subclass: O-methylated isoflavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: Isoflavanones

NP-Likeness score: 1.905

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Chemical structure download