Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 23618
- Core Entity Id
- 29438
- Source Entity Count
- 1
- Preferred Name
- Kaempgerol-3-glucoside-7-rhamnoside
- Name En
- Pubchem Id
- Smiles Canonical
- C[C@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@@H](O)[C@H]1O
- Molecular Formula
- C27H30O15
- Molecular Weight
- 594.1600
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -1.7438
- Num H Donors
- 9
- Num H Acceptors
- 15
- Num Rotatable Bonds
- 6
- Drug Likeness
- Polar Surface Area
- 249.2000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Kaempgerol-3-glucoside-7-rhamnoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Kaempgerol-3-glucoside-7-rhamnoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Kaempgerol-3-glucoside-7-rhamnoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Kaempgerol-3-glucoside-7-rhamnoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
蚕豆叶
Role
TCM_name
Source
TCMBank
Preferred
No
Name
CAN DOU YE
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Broadbean Leaf
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
蚕豆叶CAN DOU YEBroadbean Leaf
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN031975
Tcmid
25569
Tcmbank
TCMBANKIN048181
Etcm Ingredient
Kaempgerol-3-glucoside-7-rhamnoside
Itcmdb Generated
ITX-INGREDIENT-6D619A4CB9A6
Attributes
Merged source attributes and domain-specific metadata.
Smiles
c1([H])c(O[H])c(C(=O)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)=C(c3c([H])c([H])c(O[H])c([H])c3[H])O4)c4c([H])c1O[C@@]5([H])[C@]([H])(O[H])[C@@]([H])(O[
H])[C@@]([H])(O[H])[C@@]([H])(C([H])([H])[H])O5
Tcm Name
蚕豆叶
Tcm Name2
CAN DOU YE
Mol2 Path
/TCM_database/2003_3d_all/4661.mol2
Reference
6
Tcm Name En
Broadbean Leaf
Molecular Weight
594.160
Molecular Formula
C27H30O15
Molecular Formula
C27H30O15
Molecular Formula
C27H30O15
Fda Maximum Daily Dose (Fdamdd)
0.002
Quantitative Estimate Of Drug Likeness（Qed）
0.154