Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 7Ingredient: 1Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 17967
- Core Entity Id
- 23146
- Source Entity Count
- 1
- Preferred Name
- Elenolide
- Name En
- Pubchem Id
- 20054903
- Smiles Canonical
- CC=C(C=O)C1CC(=O)OC=C1C(=O)OC
- Molecular Formula
- C11H12O5
- Molecular Weight
- 224.2120
- Inchikey
- TXTINTVPMBCGKO-PFPYCLJUSA-N
- Inchi
- InChI=1S/C11H12O5/c1-3-7(5-12)8-4-10(13)16-6-9(8)11(14)15-2/h3,5-6,8H,4H2,1-2H3/b7-3-/t8-/m0/s1
- Isomeric Smiles
- C/C=C(/C=O)\[C@@H]1CC(=O)OC=C1C(=O)OC
- Cas Id
- Ob Score
- Mol Logp
- 0.7516
- Num H Donors
- 0
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.4020
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Elenolide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Elenolide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Elenolide
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Elenolide
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
elenolide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(4S)-4-((1E)-1-Formyl-1-propen-1-yl)-3,4-dihydro-2-oxo-2H-pyran-5-carboxylic acid methyl ester
Role
alias
Source
HERB_v2
Preferred
No
Name
(4S)-4-((1E)-1-Formyl-1-propen-1-yl)-3,4-dihydro-2-oxo-2H-pyran-5-carboxylic acid methyl ester
Role
alias
Source
itcmdb_public
Preferred
No
Name
083ZO77RIL
Role
alias
Source
itcmdb_public
Preferred
No
Name
083ZO77RIL
Role
alias
Source
HERB_v2
Preferred
No
Name
24582-91-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
24582-91-0
Role
alias
Source
HERB_v2
Preferred
No
Name
2H-Pyran-5-carboxylic acid, 4-((1E)-1-formyl-1-propen-1-yl)-3,4-dihydro-2-oxo-, methyl ester, (4S)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
2H-Pyran-5-carboxylic acid, 4-((1E)-1-formyl-1-propen-1-yl)-3,4-dihydro-2-oxo-, methyl ester, (4S)-
Role
alias
Source
HERB_v2
Preferred
No
Name
AC1NSV1T
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:172461
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:172461
Role
alias
Source
HERB_v2
Preferred
No
Name
Elenolide [MI]
Role
alias
Source
itcmdb_public
Preferred
No
Name
Elenolide [MI]
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL425227
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL425227
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL425228
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL425228
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-083ZO77RIL
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-083ZO77RIL
Role
alias
Source
itcmdb_public
Preferred
No
Name
[(4S)-2-oxo-4-[(E)-1-oxobut-2-en-2-yl]-3,4-dihydropyran-5-yl] acetate
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(4S)-4-((1E)-1-Formyl-1-propen-1-yl)-3,4-dihydro-2-oxo-2H-pyran-5-carboxylic acid methyl ester083ZO77RIL24582-91-02H-Pyran-5-carboxylic acid, 4-((1E)-1-formyl-1-propen-1-yl)-3,4-dihydro-2-oxo-, methyl ester, (4S)-AC1NSV1TCHEBI:172461Elenolide [MI]SCHEMBL425227SCHEMBL425228UNII-083ZO77RIL[(4S)-2-oxo-4-[(E)-1-oxobut-2-en-2-yl]-3,4-dihydropyran-5-yl] acetate
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN024980
Tcmid
6746
Sym Map
SMIT15234
Tcm Id
224924655
Pub Chem
20054903
Tcmbank
TCMBANKIN033735
Etcm Ingredient
Elenolide
Itcmdb Generated
ITX-INGREDIENT-425B122D8204
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C11H12O5/c1-3-7(5-12)8-4-10(13)16-6-9(8)11(14)15-2/h3,5-6,8H,4H2,1-2H3/b7-3-/t8-/m0/s1
Mol Wt
224.212
Smiles
CC=C(C=O)C1CC(=O)OC=C1C(=O)OC
Mol Log P
0.7515999999999999
Version
v1,v2
In Ch Ikey
TXTINTVPMBCGKO-PFPYCLJUSA-N
Suppress
0
Num Hdonors
0
Drug Likeness
0.402
Num Hacceptors
5
Isomeric Smiles
C/C=C(/C=O)\[C@@H]1CC(=O)OC=C1C(=O)OC
Canonical Smiles
CC=C(C=O)C1CC(=O)OC=C1C(=O)OC
Herb Alias Names
Elenolide [MI]24582-91-0UNII-083ZO77RIL083ZO77RIL(4S)-4-((1E)-1-Formyl-1-propen-1-yl)-3,4-dihydro-2-oxo-2H-pyran-5-carboxylic acid methyl ester2H-Pyran-5-carboxylic acid, 4-((1E)-1-formyl-1-propen-1-yl)-3,4-dihydro-2-oxo-, methyl ester, (4S)-SCHEMBL425227SCHEMBL425228CHEBI:172461
Molecular Weight
224.070
Molecular Weight
224.21 g/mol
Molecule Formula
C11H12O5
Molecular Formula
C11H12O5
Molecular Formula
C11H12O5
Molecular Formula
C11H12O5
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.212
Quantitative Estimate Of Drug Likeness（Qed）
0.402