ITCMDBv1
IngredientID 24643

Limocitrin-beta-d-glucoside

C23H24O13

Back to Browse

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: 10Ingredient: 1Links: 10
Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
24643
Core Entity Id
30584
Source Entity Count
1
Preferred Name
Limocitrin-beta-d-glucoside
Name En
Pubchem Id
5492077
Smiles Canonical
COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC)OC4C(C(C(C(O4)CO)O)O)O)O
Molecular Formula
C23H24O13
Molecular Weight
508.4320
Inchikey
XZGXHUKLGCOGII-PKNOTBOHSA-N
Inchi
InChI=1S/C23H24O13/c1-32-12-5-8(3-4-9(12)25)19-22(36-23-18(31)17(30)15(28)13(7-24)34-23)16(29)14-10(26)6-11(27)20(33-2)21(14)35-19/h3-6,13,15,17-18,23-28,30-31H,7H2,1-2H3/t13-,15+,17+,18-,23+/m1/s1
Isomeric Smiles
COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O
Cas Id
Ob Score
Mol Logp
-0.2273
Num H Donors
7
Num H Acceptors
13
Num Rotatable Bonds
6
Drug Likeness
0.2300
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name
Limocitrin-Beta-D-Glucoside
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Limocitrin-beta-D-glucoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Limocitrin-beta-d-glucoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Limocitrin-beta-d-glucoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
limocitrin-beta-d-glucoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
103839-19-6
Role
alias
Source
HERB_v2
Preferred
No
Name
103839-19-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
103839-19-6
Role
alias
Source
TCMBank
Preferred
No
Name
4H-1-Benzopyran-4-one, 3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3-methylphenyl)-8-methoxy-
Role
alias
Source
TCMBank
Preferred
No
Name
4H-1-Benzopyran-4-one, 3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3-methylphenyl)-8-methoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
4H-1-Benzopyran-4-one, 3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3-methylphenyl)-8-methoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
AC1NUSUS
Role
alias
Source
TCMBank
Preferred
No
Name
DTXCID5068576
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXCID5068576
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID70146085
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID70146085
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID70146085
Role
alias
Source
itcmdb_public
Preferred
No
Name
limocitrin-β-d-glucoside
Role
alias
Source
TCMBank
Preferred
No
Name
Limocitrin-3-Glucoside
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Limocitrin 3-glucoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Limocitrin-3-glucoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
limocitrin-3-glucoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-3-[(2S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:190796
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12113189
Role
alias
Source
itcmdb_public
Preferred
No

Aliases

Additional names normalized into the restored final schema.

103839-19-64H-1-Benzopyran-4-one, 3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3-methylphenyl)-8-methoxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-oneAC1NUSUSDTXCID5068576DTXSID70146085limocitrin-β-d-glucosideLimocitrin-3-GlucosideLimocitrin 3-glucoside5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-3-[(2S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-oneCHEBI:190796LMPK12113189

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN033241HBIN033239
Npass
NPC72735
Tcmid
1283331442
Tcmsp
MOL002071
Sym Map
SMIT19307SMIT04381
Pub Chem
549207744259988
Tcmbank
TCMBANKIN022390TCMBANKIN032572
Etcm Ingredient
Limocitrin-beta-D-glucosideLimocitrin 3-glucoside
Itcmdb Generated
ITX-INGREDIENT-A870286D8685ITX-INGREDIENT-E76106620488

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
In Ch I
InChI=1S/C23H24O13/c1-32-12-5-8(3-4-9(12)25)19-22(36-23-18(31)17(30)15(28)13(7-24)34-23)16(29)14-10(26)6-11(27)20(33-2)21(14)35-19/h3-6,13,15,17-18,23-28,30-31H,7H2,1-2H3/t13-,15+,17+,18-,23+/m1/s1
Mol Wt
508.4320000000001
Smiles
COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC)OC4C(C(C(C(O4)CO)O)O)O)O
Mol Log P
-0.227300000000001
Version
v1,v2
In Ch Ikey
XZGXHUKLGCOGII-PKNOTBOHSA-N
Suppress
0
Num Hdonors
7
Drug Likeness
0.23
Num Hacceptors
13
Isomeric Smiles
COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O
Molecule Weight
508.47
Canonical Smiles
COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC)OC4C(C(C(C(O4)CO)O)O)O)O
Herb Alias Names
103839-19-64H-1-Benzopyran-4-one, 3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3-methylphenyl)-8-methoxy-DTXSID701460855,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-3-((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-4-oneDTXCID5068576
Molecular Weight
508.120
Molecular Weight
508.4 g/mol
Molecular Formula
C23H24O13
Molecular Formula
C23H24O13
Molecular Formula
C23H24O13
Num Rotatable Bonds
6
Fda Maximum Daily Dose (Fdamdd)
0.006
Quantitative Estimate Of Drug Likeness（Qed）
0.230