ITCMDBv1
IngredientID 8553

7-o-methylluteolin-6-c-beta-glucoside

C26H26O12

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Relationship Network

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

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Herb: 3Ingredient: 1Target: 3Links: 6
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
8553
Core Entity Id
12676
Source Entity Count
1
Preferred Name
7-o-methylluteolin-6-c-beta-glucoside
Name En
Pubchem Id
91666353
Smiles Canonical
CC=C(C)C(=O)OC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O
Molecular Formula
C26H26O12
Molecular Weight
530.4820
Inchikey
VEORDRJFZGGQLP-YQROEJBVSA-N
Inchi
InChI=1S/C26H26O12/c1-3-11(2)25(34)37-17-5-4-12(6-14(17)28)18-9-16(30)21-15(29)7-13(8-19(21)36-18)35-26-24(33)23(32)22(31)20(10-27)38-26/h3-9,20,22-24,26-29,31-33H,10H2,1-2H3/b11-3-/t20-,22-,23+,24-,26-/m1/s1
Isomeric Smiles
C/C=C(/C)\C(=O)OC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O
Cas Id
Ob Score
1.2507
Mol Logp
0.9215
Num H Donors
6
Num H Acceptors
12
Num Rotatable Bonds
6
Drug Likeness
0.1500
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name
7-O-Methyl luteolin-6-C-beta-glucoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
7-O-Methylluteolin-6-C-Beta-Glucoside
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
7-O-Methylluteolin-6-C-beta-glucoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
7-o-methylluteolin-6-c-beta-glucoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
7-o-methylluteolin-6-c-beta-glucoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
4-[7-(beta-D-glucopyranosyloxy)-5-hydroxy-4-oxo-4H-chromen-2-yl]-2-hydroxyphenyl (2Z)-2-methylbut-2-enoate
Role
alias
Source
HERB_v2
Preferred
No
Name
4-[7-(beta-D-glucopyranosyloxy)-5-hydroxy-4-oxo-4H-chromen-2-yl]-2-hydroxyphenyl (2Z)-2-methylbut-2-enoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,3'-dihydroxy-4'-O-angeloxyflavone-7-O-beta-D-glucopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
5,3'-dihydroxy-4'-O-angeloxyflavone-7-O-beta-D-glucopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-o-methyl luteolin-6-c-beta-glucoside
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:85149
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:85149
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27158360
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27158360
Role
alias
Source
itcmdb_public
Preferred
No
Name
luteolin 7-O-beta-D-glucoside-4'-(Z-2-methyl-2-butenoate)
Role
alias
Source
HERB_v2
Preferred
No
Name
luteolin 7-O-beta-D-glucoside-4'-(Z-2-methyl-2-butenoate)
Role
alias
Source
itcmdb_public
Preferred
No

Aliases

Additional names normalized into the restored final schema.

7-O-Methyl luteolin-6-C-beta-glucoside4-[7-(beta-D-glucopyranosyloxy)-5-hydroxy-4-oxo-4H-chromen-2-yl]-2-hydroxyphenyl (2Z)-2-methylbut-2-enoate5,3'-dihydroxy-4'-O-angeloxyflavone-7-O-beta-D-glucopyranosideCHEBI:85149Q27158360luteolin 7-O-beta-D-glucoside-4'-(Z-2-methyl-2-butenoate)

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN013413
Npass
NPC236381
Tcmid
31654
Tcmsp
MOL009645
Sym Map
SMIT10744SMIT19372
Pub Chem
91666353
Tcmbank
TCMBANKIN008804
Etcm Ingredient
7-O-Methyl luteolin-6-C-beta-glucoside
Itcmdb Generated
ITX-INGREDIENT-9A17D713A288

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
In Ch I
InChI=1S/C26H26O12/c1-3-11(2)25(34)37-17-5-4-12(6-14(17)28)18-9-16(30)21-15(29)7-13(8-19(21)36-18)35-26-24(33)23(32)22(31)20(10-27)38-26/h3-9,20,22-24,26-29,31-33H,10H2,1-2H3/b11-3-/t20-,22-,23+,24-,26-/m1/s1
Mol Wt
530.4820000000003
Smiles
CC=C(C)C(=O)OC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O
Mol Log P
0.9215000000000009
Version
v1,v2
In Ch Ikey
VEORDRJFZGGQLP-YQROEJBVSA-N
Ob Score
1.2506866091.2506871.251
Suppress
0
Num Hdonors
6
Drug Likeness
0.15
Num Hacceptors
12
Isomeric Smiles
C/C=C(/C)\C(=O)OC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O
Molecule Weight
480.46
Canonical Smiles
CC=C(C)C(=O)OC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O
Herb Alias Names
luteolin 7-O-beta-D-glucoside-4'-(Z-2-methyl-2-butenoate)CHEBI:85149Q271583605,3'-dihydroxy-4'-O-angeloxyflavone-7-O-beta-D-glucopyranoside4-[7-(beta-D-glucopyranosyloxy)-5-hydroxy-4-oxo-4H-chromen-2-yl]-2-hydroxyphenyl (2Z)-2-methylbut-2-enoate
Molecular Weight
480.130
Molecular Weight
480.46
Molecular Formula
C22H24O12
Molecular Formula
C26H26O12
Num Rotatable Bonds
6
Fda Maximum Daily Dose (Fdamdd)
0.031
Quantitative Estimate Of Drug Likeness（Qed）
0.276