IngredientID 24746

Liquiritin apioside

C26H30O13

Relationship Network

Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

Click a node to open it in a new tab

Herb: 4Ingredient: 1Links: 4

Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 24746
Core Entity Id: 30699
Source Entity Count: 1
Preferred Name: Liquiritin apioside
Name En
Pubchem Id: 10076238
Smiles Canonical: [C@]1([H])(c2c([H])c([H])c(O[C@@]3([H])[C@]([H])(O[C@]4([H])[C@@]([H])(O[H])[C@](O[H])(C([H])([H])O[H])C([H])([H])O4)[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O3)c([H])c2[H])Oc(c([H])c (O[H])c([H])c5[H])c5C(=O)C1([H])[H]
Molecular Formula: C26H30O13
Molecular Weight: 550.5130
Inchikey: FTVKHUHJWDMWIR-DWMQJYMWSA-N
Inchi: InChI=1S/C26H30O13/c27-9-19-20(31)21(32)22(39-25-23(33)26(34,10-28)11-35-25)24(38-19)36-14-4-1-12(2-5-14)17-8-16(30)15-6-3-13(29)7-18(15)37-17/h1-7,17,19-25,27-29,31-34H,8-11H2/t17-,19+,20+,21-,22+,23-,24+,25-,26+/m0/s1
Isomeric Smiles: C1[C@H](OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@](CO5)(CO)O)O
Cas Id
Ob Score: 29.2287
Mol Logp: -1.2577
Num H Donors: 7
Num H Acceptors: 13
Num Rotatable Bonds: 7
Drug Likeness: 0.2150
Polar Surface Area: 205.0000
Molecular Volume: 336.0000
Alogp: -1.0000

Names

Preferred names, aliases, and source labels retained in the final schema.

Name

Liquiritin Apioside

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Liquiritin apioside

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Liquiritin apioside

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Liquiritin apioside

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Liquiritin apioside

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

甘草

Role

TCM_name

Source

TCMBank

Preferred

Name

Glycyrrhiza glabra

Role

TCM_name2

Source

TCMBank

Preferred

Name

Radix Glycyrrhizae

Role

TCM_name_en

Source

TCMBank

Preferred

Name

(2S)-2-[4-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-hydroxy-2,3-dihydrochromen-4-one

Role

alias

Source

HERB_v2

Preferred

Name

(2S)-2-[4-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-hydroxy-2,3-dihydrochromen-4-one

Role

alias

Source

itcmdb_public

Preferred

Name

(S)-2-(4-(((2S,3R,4S,5S,6R)-3-(((2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)-7-hydroxychroman-4-one

Role

alias

Source

itcmdb_public

Preferred

Name

(S)-2-(4-(((2S,3R,4S,5S,6R)-3-(((2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)-7-hydroxychroman-4-one

Role

alias

Source

HERB_v2

Preferred

Name

4H-1-Benzopyran-4-one, 2-(4-((2-o-D-apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy)phenyl)-2,3-dihydro-7-hydroxy-, (2S)-

Role

alias

Source

itcmdb_public

Preferred

Name

4H-1-Benzopyran-4-one, 2-(4-((2-o-D-apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy)phenyl)-2,3-dihydro-7-hydroxy-, (2S)-

Role

alias

Source

HERB_v2

Preferred

Name

74639-14-8

Role

alias

Source

HERB_v2

Preferred

Name

74639-14-8

Role

alias

Source

itcmdb_public

Preferred

Name

8T57TH2CCD

Role

alias

Source

itcmdb_public

Preferred

Name

8T57TH2CCD

Role

alias

Source

HERB_v2

Preferred

Name

DTXSID20904894

Role

alias

Source

itcmdb_public

Preferred

Name

DTXSID20904894

Role

alias

Source

HERB_v2

Preferred

Name

Liquiritigenin 4'-o-apiosyl-O-glucoside

Role

alias

Source

itcmdb_public

Preferred

Name

Liquiritigenin 4'-o-apiosyl-O-glucoside

Role

alias

Source

HERB_v2

Preferred

Name

Liquiritigenin-4'-o-apiosyl(1->2)glucoside

Role

alias

Source

HERB_v2

Preferred

Name

Liquiritigenin-4'-o-apiosyl(1->2)glucoside

Role

alias

Source

itcmdb_public

Preferred

Name

UNII-8T57TH2CCD

Role

alias

Source

HERB_v2

Preferred

Name

UNII-8T57TH2CCD

Role

alias

Source

itcmdb_public

Preferred

Name

liquiritin apioside

Role

alias

Source

TCMBank

Preferred

Name

13.补虚药(60-62)

Role

level1_name

Source

TCMBank

Preferred

Name

tonifying and replenishing medicinal

Role

level1_name_en

Source

TCMBank

Preferred

Name

1.补气药(15-15)

Role

level2_name

Source

TCMBank

Preferred

Name

qi-tonifying medicinal

Role

level2_name_en

Source

TCMBank

Preferred

Name

Liquiritigenin-7-O-D-Apiosyl-4'-O-D-Glucoside

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

liquiritigenin-7-O-D-apiosyl-4'-O-D-glucoside

Role

preferred

Source

TCMBank

Preferred

Yes

Aliases

Additional names normalized into the restored final schema.

甘草Glycyrrhiza glabraRadix Glycyrrhizae(2S)-2-[4-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-hydroxy-2,3-dihydrochromen-4-one(S)-2-(4-(((2S,3R,4S,5S,6R)-3-(((2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)-7-hydroxychroman-4-one4H-1-Benzopyran-4-one, 2-(4-((2-o-D-apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy)phenyl)-2,3-dihydro-7-hydroxy-, (2S)-74639-14-88T57TH2CCDDTXSID20904894Liquiritigenin 4'-o-apiosyl-O-glucosideLiquiritigenin-4'-o-apiosyl(1->2)glucosideUNII-8T57TH2CCD13.补虚药(60-62)tonifying and replenishing medicinal1.补气药(15-15)qi-tonifying medicinalLiquiritigenin-7-O-D-Apiosyl-4'-O-D-Glucoside

Cross References

Trusted external identifiers retained for this final record.

Herb

HBIN033384HBIN033382

Tcmid

40088

Tcmsp

MOL004953

Sym Map

SMIT06784SMIT25082

Tcm Id

20223202242925

Pub Chem

10076238

Tcmbank

TCMBANKIN044810TCMBANKIN058537

Etcm Ingredient

Liquiritin apioside

Itcmdb Generated

ITX-INGREDIENT-874086765EB0ITX-INGREDIENT-2C4555236958

Attributes

Merged source attributes and domain-specific metadata.

Type

Blood ingredients

Alog P

-1

In Ch I

InChI=1S/C26H30O13/c27-9-19-20(31)21(32)22(39-25-23(33)26(34,10-28)11-35-25)24(38-19)36-14-4-1-12(2-5-14)17-8-16(30)15-6-3-13(29)7-18(15)37-17/h1-7,17,19-25,27-29,31-34H,8-11H2/t17-,19+,20+,21-,22+,23-,24+,25-,26+/m0/s1

Mol Wt

550.5130000000004

Smiles

[C@]1([H])(c2c([H])c([H])c(O[C@@]3([H])[C@]([H])(O[C@]4([H])[C@@]([H])(O[H])[C@](O[H])(C([H])([H])O[H])C([H])([H])O4)[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O3)c([H])c2[H])Oc(c([H])c (O[H])c([H])c5[H])c5C(=O)C1([H])[H]

37 Flag

C Count

Mol Log P

-1.257700000000001

N Count

O Count

P Count

S Count

Version

v1,v2

In Ch Ikey

FTVKHUHJWDMWIR-DWMQJYMWSA-N

Ob Score

29.2287336729.22873429.229

Suppress

Tcm Name

甘草

Tcm Name2

Glycyrrhiza glabra

Mol2 Path

/TCM_database/13.补虚药(60-62)/1.补气药(15-15)/甘草/Glycyrrhiza glabra/structure/Liquiritin apioside.mol2

Num Hdonors

Tcm Name En

Radix Glycyrrhizae

Level1 Name

13.补虚药(60-62)

Level2 Name

1.补气药(15-15)

Num H Donors

Drug Likeness

0.215

Num Hacceptors

Level1 Name En

tonifying and replenishing medicinal

Level2 Name En

qi-tonifying medicinal

Isomeric Smiles

C1[C@H](OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@](CO5)(CO)O)O

Molecule Weight

550.56

Num H Acceptors

Canonical Smiles

C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)OC4C(C(C(C(O4)CO)O)O)OC5C(C(CO5)(CO)O)O

Herb Alias Names

74639-14-8UNII-8T57TH2CCD8T57TH2CCDLiquiritigenin 4'-o-apiosyl-O-glucosideLiquiritigenin-4'-o-apiosyl(1->2)glucosideDTXSID20904894(2S)-2-[4-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-hydroxy-2,3-dihydrochromen-4-one4H-1-Benzopyran-4-one, 2-(4-((2-o-D-apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy)phenyl)-2,3-dihydro-7-hydroxy-, (2S)-(S)-2-(4-(((2S,3R,4S,5S,6R)-3-(((2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)-7-hydroxychroman-4-one

Molecular Weight

550.170

Molecular Volume

336

Molecular Weight

551

Molecule Formula

C26H30O13

Molecular Formula

C26H30O13

Molecular Formula

C26H30O13

Molecular Formula

C26H30O13

Num Rotatable Bonds

Molecular Polar Surface Area

205

Fda Maximum Daily Dose (Fdamdd)

0.003

Quantitative Estimate Of Drug Likeness（Qed）

0.215