Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Target: 12Links: 24
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 51240
- Core Entity Id
- 94251
- Source Entity Count
- 1
- Preferred Name
- Cinaroside
- Name En
- Pubchem Id
- 5280637
- Smiles Canonical
- C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O
- Molecular Formula
- C21H20O11
- Molecular Weight
- 448.1000
- Inchikey
- PEFNSGRTCBGNAN-QNDFHXLGSA-N
- Inchi
- InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 0.5000
- Num H Donors
- 7
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 186.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cinaroside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Cinaroside
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Cinaroside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
葎草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
LV CAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Japanese Hop
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
葎草LV CAOJapanese Hop
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN037759
Etcm Ingredient
Cinaroside
Itcmdb Generated
ITX-INGREDIENT-3B9B4B83AD77ITX-INGREDIENT-7990CD8E92BE
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v1,v2
Suppress
0
Tcm Name
葎草
Tcm Name2
LV CAO
Mol2 Path
/TCM_database/2007_3d_all/03674.mol2
Reference
2, 4, 440, 475, 658, 660, 2508, 3846, 4214, 4416, 4530, 5009, 5508
Tcm Name En
Japanese Hop
Molecular Weight
448.100
Molecule Formula
C21H20O11
Molecular Formula
C21H20O11
Fda Maximum Daily Dose (Fdamdd)
0.031
Quantitative Estimate Of Drug Likeness（Qed）
0.261