Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 9Links: 11
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 33680
- Core Entity Id
- 40630
- Source Entity Count
- 1
- Preferred Name
- Spallidamine
- Name En
- Pubchem Id
- 10430523
- Smiles Canonical
- Molecular Formula
- C22H17NO6
- Molecular Weight
- 391.3700
- Inchikey
- MLIRCDHFNFQJJZ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C22H17NO6/c1-23-15(8-19(24)25)20-12(4-5-16-22(20)29-10-26-16)13-3-2-11-6-17-18(28-9-27-17)7-14(11)21(13)23/h2-7,15H,8-10H2,1H3,(H,24,25)
- Isomeric Smiles
- Cas Id
- 129388-65-4
- Ob Score
- 4.8589
- Mol Logp
- 3.7000
- Num H Donors
- 1
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 77.5000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Spallidamine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Spallidamine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Spallidamine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Spallidamine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Spallidamine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
spallidamine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
spallidamine
Role
alias
Source
TCMBank
Preferred
No
Cross References
Trusted external identifiers retained for this final record.
Cas
129388-65-4
Herb
HBIN044463
Tcmsp
MOL004229MOL008643
Sym Map
SMIT06187
Tcmbank
TCMBANKIN031990
Etcm Ingredient
spallidamine
Itcmdb Generated
ITX-INGREDIENT-47C3DF7871F2
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Cas Id
129388-65-4
Version
v1,v2
Ob Score
4.85894.8589004364.859
Suppress
0
Molecule Weight
391.4
Molecular Weight
391.110
Molecular Weight
391.37
Molecular Formula
C22H17NO6
Molecular Formula
C22H17NO6
Molecular Formula
C22H17NO6
Fda Maximum Daily Dose (Fdamdd)
0.974
Quantitative Estimate Of Drug Likeness（Qed）
0.709