Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 18107
- Core Entity Id
- 23302
- Source Entity Count
- 1
- Preferred Name
- Entadamide a
- Name En
- Pubchem Id
- 6439215
- Smiles Canonical
- CSC=CC(=O)NCCO
- Molecular Formula
- C6H11NO2S
- Molecular Weight
- 161.2260
- Inchikey
- NBRCIHAGNJRRRI-GORDUTHDSA-N
- Inchi
- InChI=1S/C6H11NO2S/c1-10-5-2-6(9)7-3-4-8/h2,5,8H,3-4H2,1H3,(H,7,9)/b5-2+
- Isomeric Smiles
- CS/C=C/C(=O)NCCO
- Cas Id
- Ob Score
- Mol Logp
- -0.0284
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.5690
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Entadamide A
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Entadamide A
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Entadamide A
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Entadamide a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Entadamide a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
entadamide a
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(E)-N-(2-hydroxyethyl)-3-methylsulfanylprop-2-enamide
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-N-(2-hydroxyethyl)-3-methylsulfanylprop-2-enamide
Role
alias
Source
HERB_v2
Preferred
No
Name
100477-88-1
Role
alias
Source
HERB_v2
Preferred
No
Name
100477-88-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
C6H11NO2S
Role
alias
Source
itcmdb_public
Preferred
No
Name
C6H11NO2S
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:179370
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:179370
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL2235398
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL2235398
Role
alias
Source
itcmdb_public
Preferred
No
Name
ENTADAMIDE
Role
alias
Source
HERB_v2
Preferred
No
Name
ENTADAMIDE
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-(2-Hydroxyethyl)-3-methylthiopropenamide
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-(2-Hydroxyethyl)-3-methylthiopropenamide
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL18297864
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL18297864
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL18297867
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL18297867
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(E)-N-(2-hydroxyethyl)-3-methylsulfanylprop-2-enamide100477-88-1C6H11NO2SCHEBI:179370CHEMBL2235398ENTADAMIDEN-(2-Hydroxyethyl)-3-methylthiopropenamideSCHEMBL18297864SCHEMBL18297867
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN025175
Npass
NPC282097
Tcmid
6808
Sym Map
SMIT23785
Pub Chem
6439215
Tcmbank
TCMBANKIN008917
Etcm Ingredient
Entadamide A
Itcmdb Generated
ITX-INGREDIENT-212A1103725BITX-INGREDIENT-3839B6E3EE4D
Attributes
Merged source attributes and domain-specific metadata.
Type
Metabolic ingredients
In Ch I
InChI=1S/C6H11NO2S/c1-10-5-2-6(9)7-3-4-8/h2,5,8H,3-4H2,1H3,(H,7,9)/b5-2+
Mol Wt
161.226
Smiles
CSC=CC(=O)NCCO
Mol Log P
-0.02840000000000009
Version
v2
In Ch Ikey
NBRCIHAGNJRRRI-GORDUTHDSA-N
Suppress
0
Num Hdonors
2
Drug Likeness
0.569
Num Hacceptors
3
Isomeric Smiles
CS/C=C/C(=O)NCCO
Canonical Smiles
CSC=CC(=O)NCCO
Herb Alias Names
100477-88-1N-(2-Hydroxyethyl)-3-methylthiopropenamide(E)-N-(2-hydroxyethyl)-3-methylsulfanylprop-2-enamideC6H11NO2SENTADAMIDECHEMBL2235398SCHEMBL18297864SCHEMBL18297867CHEBI:179370
Molecular Weight
161.050
Molecular Weight
161.22 g/mol
Molecular Formula
C6H11NO2S
Molecular Formula
C6H11NO2S
Molecular Formula
C6H11NO2S
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.011
Quantitative Estimate Of Drug Likeness（Qed）
0.569