Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 25757
- Core Entity Id
- 31824
- Source Entity Count
- 1
- Preferred Name
- Meconic acid
- Name En
- Pubchem Id
- 10347
- Smiles Canonical
- C1=C(OC(=C(C1=O)O)C(=O)O)C(=O)O
- Molecular Formula
- C7H4O7
- Molecular Weight
- 200.1020
- Inchikey
- ZEGRKMXCOCRTCS-UHFFFAOYSA-N
- Inchi
- InChI=1S/C7H4O7/c8-2-1-3(6(10)11)14-5(4(2)9)7(12)13/h1,9H,(H,10,11)(H,12,13)
- Isomeric Smiles
- C1=C(OC(=C(C1=O)O)C(=O)O)C(=O)O
- Cas Id
- 497-59-6
- Ob Score
- Mol Logp
- -0.2582
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6000
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Meconic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Meconic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Meconic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
meconic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-HYDROXY-4-OXO-4H-PYRAN-2,6-DICARBOXYLIC ACID
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-HYDROXY-4-OXO-4H-PYRAN-2,6-DICARBOXYLIC ACID
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Hydroxy-4-oxo-1,4-pyran-2,6-dicarboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Hydroxy-4-oxo-1,4-pyran-2,6-dicarboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Hydroxy-4-oxopyran-2,6-dicarboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Hydroxy-4-oxopyran-2,6-dicarboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
497-59-6
Role
alias
Source
HERB_v2
Preferred
No
Name
497-59-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC 805
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC 805
Role
alias
Source
HERB_v2
Preferred
No
Name
Opium acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Opium acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Poppy acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Poppy acid
Role
alias
Source
HERB_v2
Preferred
No
Name
meconicacid
Role
alias
Source
TCMBank
Preferred
No
Name
oxychelidonic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
oxychelidonic acid
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3-HYDROXY-4-OXO-4H-PYRAN-2,6-DICARBOXYLIC ACID3-Hydroxy-4-oxo-1,4-pyran-2,6-dicarboxylic acid3-Hydroxy-4-oxopyran-2,6-dicarboxylic acid497-59-6NSC 805Opium acidPoppy acidmeconicacidoxychelidonic acid
Cross References
Trusted external identifiers retained for this final record.
Cas
497-59-6
Herb
HBIN034615
Npass
NPC135537
Tcmid
1362525542
Tcm Id
2788
Pub Chem
10347
Tcmbank
TCMBANKIN020816
Etcm Ingredient
Meconic acid
Itcmdb Generated
ITX-INGREDIENT-715B078D1A47
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C7H4O7/c8-2-1-3(6(10)11)14-5(4(2)9)7(12)13/h1,9H,(H,10,11)(H,12,13)
Mol Wt
200.102
Cas Id
497-59-6
Smiles
C1=C(OC(=C(C1=O)O)C(=O)O)C(=O)O
Mol Log P
-0.2582
In Ch Ikey
ZEGRKMXCOCRTCS-UHFFFAOYSA-N
Num Hdonors
3
Drug Likeness
0.6
Num Hacceptors
5
Isomeric Smiles
C1=C(OC(=C(C1=O)O)C(=O)O)C(=O)O
Canonical Smiles
C1=C(OC(=C(C1=O)O)C(=O)O)C(=O)O
Herb Alias Names
497-59-6Poppy acid3-Hydroxy-4-oxopyran-2,6-dicarboxylic acidoxychelidonic acid3-HYDROXY-4-OXO-4H-PYRAN-2,6-DICARBOXYLIC ACIDOpium acid3-Hydroxy-4-oxo-1,4-pyran-2,6-dicarboxylic acidNSC 805NSC-805
Molecular Weight
200.000
Molecular Weight
200.1
Molecular Formula
C7H4O7
Molecular Formula
C7H4O7
Molecular Formula
C7H4O7
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.002
Quantitative Estimate Of Drug Likeness（Qed）
0.600