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
- 2174
- Core Entity Id
- 5605
- Source Entity Count
- 1
- Preferred Name
- 2-methyl-5-carboxymethyl-7-hydroxychromone
- Name En
- Pubchem Id
- 14429402
- Smiles Canonical
- CC1=CC(=O)C2=C(O1)C=C(C=C2CC(=O)O)O
- Molecular Formula
- C12H10O5
- Molecular Weight
- 234.2070
- Inchikey
- AWGUDSPRBOCEJK-UHFFFAOYSA-N
- Inchi
- InChI=1S/C12H10O5/c1-6-2-9(14)12-7(4-11(15)16)3-8(13)5-10(12)17-6/h2-3,5,13H,4H2,1H3,(H,15,16)
- Isomeric Smiles
- CC1=CC(=O)C2=C(C=C(C=C2O1)O)CC(=O)O
- Cas Id
- Ob Score
- Mol Logp
- 1.4341
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.8200
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-Methyl-5-Carboxymethyl-7-Hydroxychromone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2-Methyl-5-carboxymethyl-7-hydroxychromone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2-methyl-5-carboxymethyl-7-hydroxychromone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-methyl-5-carboxymethyl-7-hydroxychromone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-methyl-5-carboxymethyl-7-hydroxychromone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-yl)acetic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-yl)acetic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(7-hydroxy-2-methyl-4-oxo-4H-chromen-5-yl)acetic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(7-hydroxy-2-methyl-4-oxo-4H-chromen-5-yl)acetic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(7-hydroxy-2-methyl-4-oxochromen-5-yl)acetic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(7-hydroxy-2-methyl-4-oxochromen-5-yl)acetic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
5-(Carboxymethyl)-7-hydroxy-2-methylchromone
Role
alias
Source
HERB_v2
Preferred
No
Name
5-(Carboxymethyl)-7-hydroxy-2-methylchromone
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
94356-34-0
Role
alias
Source
HERB_v2
Preferred
No
Name
94356-34-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:174195
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:174195
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID90560168
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID90560168
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL25204307
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL25204307
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-yl)acetic acid2-(7-hydroxy-2-methyl-4-oxo-4H-chromen-5-yl)acetic acid2-(7-hydroxy-2-methyl-4-oxochromen-5-yl)acetic acid5-(Carboxymethyl)-7-hydroxy-2-methylchromone7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid94356-34-0CHEBI:174195DTXSID90560168SCHEMBL25204307
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN005996
Npass
NPC68953
Tcmid
14213
Sym Map
SMIT16555
Pub Chem
14429402
Tcmbank
TCMBANKIN029506
Etcm Ingredient
2-Methyl-5-carboxymethyl-7-hydroxychromone
Itcmdb Generated
ITX-INGREDIENT-4C54FF6B661A
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C12H10O5/c1-6-2-9(14)12-7(4-11(15)16)3-8(13)5-10(12)17-6/h2-3,5,13H,4H2,1H3,(H,15,16)
Mol Wt
234.207
Smiles
CC1=CC(=O)C2=C(O1)C=C(C=C2CC(=O)O)O
Mol Log P
1.43412
Version
v1,v2
In Ch Ikey
AWGUDSPRBOCEJK-UHFFFAOYSA-N
Suppress
0
Num Hdonors
2
Drug Likeness
0.82
Num Hacceptors
4
Isomeric Smiles
CC1=CC(=O)C2=C(C=C(C=C2O1)O)CC(=O)O
Canonical Smiles
CC1=CC(=O)C2=C(C=C(C=C2O1)O)CC(=O)O
Herb Alias Names
94356-34-02-(7-hydroxy-2-methyl-4-oxo-4H-chromen-5-yl)acetic acid7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid2-(7-hydroxy-2-methyl-4-oxochromen-5-yl)acetic acidSCHEMBL25204307DTXSID90560168CHEBI:1741955-(Carboxymethyl)-7-hydroxy-2-methylchromone(7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-yl)acetic acid
Molecular Weight
236.070
Molecular Formula
C12H12O5
Molecular Formula
C12H10O5
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.513
Quantitative Estimate Of Drug Likeness（Qed）
0.810