Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 11958
- Core Entity Id
- 16459
- Source Entity Count
- 1
- Preferred Name
- Baicalein-7-glucoside
- Name En
- Pubchem Id
- 101876630
- Smiles Canonical
- C1=CC=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)O)O)O)OC4C(C(C(C(O4)CO)O)O)O
- Molecular Formula
- C21H20O11
- Molecular Weight
- 448.3800
- Inchikey
- SJXSFDSZZXJLFJ-CZTZGLBASA-N
- Inchi
- InChI=1S/C21H20O11/c22-7-11-14(25)17(28)18(29)21(31-11)32-20-16(27)12-10(6-9(23)13(24)15(12)26)30-19(20)8-4-2-1-3-5-8/h1-6,11,14,17-18,21-26,28-29H,7H2/t11-,14-,17+,18-,21+/m1/s1
- Isomeric Smiles
- C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)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
- 0.2610
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Baicalein-7- Glucoside
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Baicalein-7- Glucoside
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Baicalein-7-glucoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Baicalein-7-glucoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
baicalein-7- glucoside
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
Baicalein-7- Glucoside
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN017512
Npass
NPC218017
Tcmid
37686
Sym Map
SMIT22497
Pub Chem
101876630
Tcmbank
TCMBANKIN005319
Itcmdb Generated
ITX-INGREDIENT-E6D23D64102C
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C21H20O11/c22-7-11-14(25)17(28)18(29)21(31-11)32-20-16(27)12-10(6-9(23)13(24)15(12)26)30-19(20)8-4-2-1-3-5-8/h1-6,11,14,17-18,21-26,28-29H,7H2/t11-,14-,17+,18-,21+/m1/s1
Mol Wt
448.3800000000001
Smiles
C1=CC=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)O)O)O)OC4C(C(C(C(O4)CO)O)O)O
Mol Log P
-0.2445000000000004
Version
v2
In Ch Ikey
SJXSFDSZZXJLFJ-CZTZGLBASA-N
Suppress
0
Num Hdonors
7
Drug Likeness
0.261
Num Hacceptors
11
Isomeric Smiles
C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
Canonical Smiles
C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)O)O)OC4C(C(C(C(O4)CO)O)O)O
Molecular Formula
C21H20O11
Molecular Formula
C21H20O11
Num Rotatable Bonds
4