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
- 16620
- Core Entity Id
- 21642
- Source Entity Count
- 1
- Preferred Name
- Demethoxybergenin
- Name En
- Pubchem Id
- 10063249
- Smiles Canonical
- C1=C(C=C(C2=C1C(=O)OC3C2OC(C(C3O)O)CO)O)O
- Molecular Formula
- C13H15O8
- Molecular Weight
- 298.2400
- Inchikey
- ASMJEFOVGPJHRZ-AZOIZPIDSA-N
- Inchi
- InChI=1S/C13H14O8/c14-3-7-9(17)10(18)12-11(20-7)8-5(13(19)21-12)1-4(15)2-6(8)16/h1-2,7,9-12,14-18H,3H2/t7-,9-,10+,11+,12-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -0.9000
- Num H Donors
- 5
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 1
- Drug Likeness
- Polar Surface Area
- 137.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Demethoxybergenin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Demethoxybergenin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Demethoxybergenin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
有色紫金牛
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YOU SE ZI JIN NIU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Colorate Ardisia*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
有色紫金牛YOU SE ZI JIN NIUColorate Ardisia*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN023223
Tcmid
5041
Tcmbank
TCMBANKIN041585
Attributes
Merged source attributes and domain-specific metadata.
Tcm Name
有色紫金牛
Tcm Name2
YOU SE ZI JIN NIU
Mol2 Path
/TCM_database/2007_3d_all/05042.mol2
Reference
4244
Tcm Name En
Colorate Ardisia*
Molecular Formula
C13H15O8