Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 25088
- Core Entity Id
- 31080
- Source Entity Count
- 1
- Preferred Name
- Luteolin 3′-o-beta-d-glucopyranoside
- Name En
- Pubchem Id
- 12309350
- Smiles Canonical
- C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O
- Molecular Formula
- C21H20O11
- Molecular Weight
- 448.3800
- Inchikey
- VNTMXJLNIJFLIF-QNDFHXLGSA-N
- Inchi
- InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-14-3-8(1-2-10(14)24)13-6-12(26)17-11(25)4-9(23)5-15(17)30-13/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1
- Isomeric Smiles
- C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -0.2445
- Num H Donors
- 7
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.2790
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Luteolin 3′-o-beta-d-glucopyranoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Luteolin 3′-o-beta-d-glucopyranoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Dracocephaloside
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dracocephaloside
Role
alias
Source
HERB_v2
Preferred
No
Name
Luteolin 3'-O-glucoside
Role
alias
Source
HERB_v2
Preferred
No
Name
Luteolin 3'-O-glucoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
Luteolin 3'-beta-D-glucopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
Luteolin 3'-beta-D-glucopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
Luteolin 3'-glucoside
Role
alias
Source
HERB_v2
Preferred
No
Name
Luteolin 3'-glucoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
Luteolin 3'-o-beta-D-glucopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
Luteolin 3'-o-beta-D-glucopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
Luteolin 3'-o-beta-D-glucoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
Luteolin 3'-o-beta-D-glucoside
Role
alias
Source
HERB_v2
Preferred
No
Name
Luteolin-3'-o-beta-glucoside
Role
alias
Source
HERB_v2
Preferred
No
Name
Luteolin-3'-o-beta-glucoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
Luteolin-3'-o-glucuronide (constituent of rosemary) [DSC]
Role
alias
Source
HERB_v2
Preferred
No
Name
Luteolin-3'-o-glucuronide (constituent of rosemary) [DSC]
Role
alias
Source
itcmdb_public
Preferred
No
Name
NE54EDY436
Role
alias
Source
HERB_v2
Preferred
No
Name
NE54EDY436
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-NE54EDY436
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-NE54EDY436
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
DracocephalosideLuteolin 3'-O-glucosideLuteolin 3'-beta-D-glucopyranosideLuteolin 3'-glucosideLuteolin 3'-o-beta-D-glucopyranosideLuteolin 3'-o-beta-D-glucosideLuteolin-3'-o-beta-glucosideLuteolin-3'-o-glucuronide (constituent of rosemary) [DSC]NE54EDY436UNII-NE54EDY436
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN033809
Tcmid
3575439000
Pub Chem
12309350
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-14-3-8(1-2-10(14)24)13-6-12(26)17-11(25)4-9(23)5-15(17)30-13/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1
Mol Wt
448.3800000000001
Mol Log P
-0.2444999999999996
In Ch Ikey
VNTMXJLNIJFLIF-QNDFHXLGSA-N
Num Hdonors
7
Drug Likeness
0.279
Num Hacceptors
11
Isomeric Smiles
C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
Canonical Smiles
C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O
Herb Alias Names
DracocephalosideLuteolin 3'-glucosideLuteolin 3'-O-glucosideNE54EDY436UNII-NE54EDY436Luteolin-3'-o-beta-glucosideLuteolin 3'-o-beta-D-glucosideLuteolin 3'-beta-D-glucopyranosideLuteolin 3'-o-beta-D-glucopyranosideLuteolin-3'-o-glucuronide (constituent of rosemary) [DSC]
Molecular Formula
C21H20O11
Num Rotatable Bonds
4