Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Ingredient: 1Target: 12Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 13853
- Core Entity Id
- 18567
- Source Entity Count
- 1
- Preferred Name
- Caseanidine
- Name En
- Pubchem Id
- 12302492
- Smiles Canonical
- Molecular Formula
- C20H23NO4
- Molecular Weight
- 341.4000
- Inchikey
- BEIZGBSEZACCGQ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H23NO4/c1-23-16-6-4-12-8-9-21-11-14-13(10-15(21)18(12)19(16)22)5-7-17(24-2)20(14)25-3/h4-7,15,22H,8-11H2,1-3H3
- Isomeric Smiles
- Cas Id
- 40141-47-7
- Ob Score
- 25.2050
- Mol Logp
- 2.9000
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- 51.2000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Caseanidine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Caseanidine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Caseanidine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Caseanidine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
caseanidine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
caseanidine
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Cas
40141-47-7
Herb
HBIN019856
Tcmsp
MOL004192
Sym Map
SMIT06154
Tcmbank
TCMBANKIN001843
Etcm Ingredient
caseanidine
Itcmdb Generated
ITX-INGREDIENT-5E712480F9E5
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Cas Id
40141-47-7
Version
v1,v2
Ob Score
25.20525.20519125.20519142
Suppress
0
Molecule Weight
341.44
Molecular Weight
341.160
Molecular Weight
341.4
Molecular Formula
C20H23NO4
Molecular Formula
C20H23NO4
Molecular Formula
C20H23NO4
Fda Maximum Daily Dose (Fdamdd)
0.964
Quantitative Estimate Of Drug Likeness（Qed）
0.930