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
- 12595
- Core Entity Id
- 17170
- Source Entity Count
- 1
- Preferred Name
- Bethogenon
- Name En
- Pubchem Id
- Smiles Canonical
- C1([H])([H])\C(=C([H])/C([H])=N(c(c([H])c(O[H])c(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O2)c3[H])c3C4([H])[H])[C@]4([H])C(=O)O)\C([H])=C(C(O[H])=O)N([H])[ C@@]1(C(O[H])=O)[H]
- Molecular Formula
- C24H27N2O13
- Molecular Weight
- 550.1400
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- Num H Donors
- Num H Acceptors
- Num Rotatable Bonds
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Bethogenon
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Bethogenon
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Bethogenon
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Bethogenon
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
鱼耳七
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YU ER QI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Whiteflower Tril
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
鱼耳七YU ER QIWhiteflower Tril
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN018363
Tcmid
30653
Tcmbank
TCMBANKIN043891
Etcm Ingredient
Bethogenon
Itcmdb Generated
ITX-INGREDIENT-D6A81FC16AB0
Attributes
Merged source attributes and domain-specific metadata.
Smiles
C1([H])([H])\C(=C([H])/C([H])=N(c(c([H])c(O[H])c(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O2)c3[H])c3C4([H])[H])[C@]4([H])C(=O)O)\C([H])=C(C(O[H])=O)N([H])[
C@@]1(C(O[H])=O)[H]
Tcm Name
鱼耳七
Tcm Name2
YU ER QI
Mol2 Path
/TCM_database/2003_3d_all/881.mol2
Reference
6
Tcm Name En
Whiteflower Tril
Molecular Weight
550.140
Molecular Formula
C24H26N2O13
Molecular Formula
C24H27N2O13
Molecular Formula
C24H27N2O13
Fda Maximum Daily Dose (Fdamdd)
0.021
Quantitative Estimate Of Drug Likeness（Qed）
0.164