Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 40575
- Core Entity Id
- 83586
- Source Entity Count
- 1
- Preferred Name
- Senkyunolide B
- Name En
- Pubchem Id
- 5281559
- Smiles Canonical
- CCCC=C1C2=C(C(=CC=C2)O)C(=O)O1
- Molecular Formula
- C12H12O3
- Molecular Weight
- 204.0800
- Inchikey
- XLFDJKJEYMKLJX-YFHOEESVSA-N
- Inchi
- InChI=1S/C12H12O3/c1-2-3-7-10-8-5-4-6-9(13)11(8)12(14)15-10/h4-7,13H,2-3H2,1H3/b10-7-
- Isomeric Smiles
- Cas Id
- Ob Score
- 43.1768
- Mol Logp
- 3.4000
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 46.5000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Senkyunolide B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Senkyunolide B
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
senkyunolide B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
川芎
Role
TCM_name
Source
TCMBank
Preferred
No
Name
CHUAN XIONG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
(Wallich Ligusticum)
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
川芎CHUAN XIONG(Wallich Ligusticum)
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN001540
Etcm Ingredient
senkyunolide B
Itcmdb Generated
ITX-INGREDIENT-9BBE350EEBFEITX-INGREDIENT-C2A01FF66E8D
Attributes
Merged source attributes and domain-specific metadata.
Version
v1,v2
Ob Score
43.17675507
Suppress
1
Tcm Name
川芎
Tcm Name2
CHUAN XIONG
Mol2 Path
/TCM_database/2007_3d_all/19732.mol2
Reference
660
Tcm Name En
(Wallich Ligusticum)
Molecule Weight
204.24
Molecular Weight
204.080
Molecular Formula
C12H12O3
Link Ingredient Id
12636.0
Fda Maximum Daily Dose (Fdamdd)
0.046
Quantitative Estimate Of Drug Likeness（Qed）
0.753