Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 13531
- Core Entity Id
- 18209
- Source Entity Count
- 1
- Preferred Name
- Entadamide c
- Name En
- Pubchem Id
- 10241346
- Smiles Canonical
- CS(=O)C=CC(=O)NCCO
- Molecular Formula
- C6H11NO3S
- Molecular Weight
- 177.2250
- Inchikey
- LBGAGBWSXXFWGZ-GORDUTHDSA-N
- Inchi
- InChI=1S/C6H11NO3S/c1-11(10)5-2-6(9)7-3-4-8/h2,5,8H,3-4H2,1H3,(H,7,9)/b5-2+
- Isomeric Smiles
- CS(=O)/C=C/C(=O)NCCO
- Cas Id
- Ob Score
- Mol Logp
- -1.0129
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.5410
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Entadamide C
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Entadamide c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Entadamide c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
entadamide c
Role
preferred
Source
TCMBank
Preferred
Yes
Name
C6H11NO3S
Role
alias
Source
itcmdb_public
Preferred
No
Name
C6H11NO3S
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
C6H11NO3S
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN025176
Tcmid
6809
Pub Chem
10241346
Tcmbank
TCMBANKIN020342
Etcm Ingredient
Entadamide C
Itcmdb Generated
ITX-INGREDIENT-1F91D5B8F9AF
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C6H11NO3S/c1-11(10)5-2-6(9)7-3-4-8/h2,5,8H,3-4H2,1H3,(H,7,9)/b5-2+
Mol Wt
177.225
Smiles
CS(=O)C=CC(=O)NCCO
Mol Log P
-1.0129
In Ch Ikey
LBGAGBWSXXFWGZ-GORDUTHDSA-N
Num Hdonors
2
Drug Likeness
0.541
Num Hacceptors
3
Isomeric Smiles
CS(=O)/C=C/C(=O)NCCO
Canonical Smiles
CS(=O)C=CC(=O)NCCO
Herb Alias Names
C6H11NO3S
Molecular Weight
177.050
Molecular Weight
177.22 g/mol
Molecular Formula
C6H11NO3S
Molecular Formula
C6H11NO3S
Molecular Formula
C6H11NO3S
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.021
Quantitative Estimate Of Drug Likeness（Qed）
0.427