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: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6116
- Core Entity Id
- 9981
- Source Entity Count
- 1
- Preferred Name
- 4-hydroxypyridyl-3-oicacid 4-o-glucopyrano-side
- Name En
- Pubchem Id
- 637401
- Smiles Canonical
- C1=CN=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)C(=O)O
- Molecular Formula
- C12H15NO8
- Molecular Weight
- 301.2510
- Inchikey
- LRAYZXVBPSCDCZ-WSOSLHDDSA-N
- Inchi
- InChI=1S/C12H15NO8/c14-4-7-8(15)9(16)10(17)12(21-7)20-6-1-2-13-3-5(6)11(18)19/h1-3,7-10,12,14-17H,4H2,(H,18,19)/t7-,8-,9+,10-,12-/m1/s1
- Isomeric Smiles
- C1=CN=CC(=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)O
- Cas Id
- Ob Score
- Mol Logp
- -2.0415
- Num H Donors
- 5
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.4230
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4-Hydroxypyridyl-3-oic acid 4-O-glucopyranoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4-hydroxypyridyl-3-oicacid 4-o-glucopyrano-side
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
4-hydroxypyridyl-3-oicacid 4-o-glucopyrano-side
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
香丝草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
XIANG SI CAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Bona Conyza
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
4-Hydroxypyridyl-3-oic acid 4-O-glucopyranoside香丝草XIANG SI CAOBona Conyza
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN010571
Tcmid
10669
Pub Chem
637401
Tcmbank
TCMBANKIN015130
Itcmdb Generated
ITX-INGREDIENT-ADE860F61421
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C12H15NO8/c14-4-7-8(15)9(16)10(17)12(21-7)20-6-1-2-13-3-5(6)11(18)19/h1-3,7-10,12,14-17H,4H2,(H,18,19)/t7-,8-,9+,10-,12-/m1/s1
Mol Wt
301.251
Mol Log P
-2.041499999999999
In Ch Ikey
LRAYZXVBPSCDCZ-WSOSLHDDSA-N
Tcm Name
香丝草
Tcm Name2
XIANG SI CAO
Mol2 Path
/TCM_database/2007_3d_all/10670.mol2
Reference
5206
Num Hdonors
5
Tcm Name En
Bona Conyza
Drug Likeness
0.423
Num Hacceptors
8
Isomeric Smiles
C1=CN=CC(=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)O
Canonical Smiles
C1=CN=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)C(=O)O
Molecular Formula
C12H15NO8
Num Rotatable Bonds
4