Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 29929
- Core Entity Id
- 36451
- Source Entity Count
- 1
- Preferred Name
- Picricacid
- Name En
- Pubchem Id
- 6954
- Smiles Canonical
- C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]
- Molecular Formula
- C6H3N3O7
- Molecular Weight
- 229.1040
- Inchikey
- OXNIZHLAWKMVMX-UHFFFAOYSA-N
- Inchi
- InChI=1S/C6H3N3O7/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,10H
- Isomeric Smiles
- C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]
- Cas Id
- Ob Score
- Mol Logp
- 1.1168
- Num H Donors
- 1
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.6020
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Picricacid
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Picric acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Picricacid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Picricacid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Picricacid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
picricacid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
乌梅
Role
TCM_name
Source
TCMBank
Preferred
No
Name
WU MEI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Japanese Apricot
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
2,4,6-Trinitrophenol
Role
alias
Source
HERB_v2
Preferred
No
Name
2,4,6-Trinitrophenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
88-89-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
88-89-1
Role
alias
Source
HERB_v2
Preferred
No
Name
Acide picrique
Role
alias
Source
itcmdb_public
Preferred
No
Name
Acide picrique
Role
alias
Source
HERB_v2
Preferred
No
Name
Carbazotic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Carbazotic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Melinite
Role
alias
Source
itcmdb_public
Preferred
No
Name
Melinite
Role
alias
Source
HERB_v2
Preferred
No
Name
Nitroxanthic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Nitroxanthic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
PICRIC ACID
Role
alias
Source
itcmdb_public
Preferred
No
Name
PICRIC ACID
Role
alias
Source
HERB_v2
Preferred
No
Name
Picral
Role
alias
Source
HERB_v2
Preferred
No
Name
Picral
Role
alias
Source
itcmdb_public
Preferred
No
Name
Picronitric acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Picronitric acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Trinitrophenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Trinitrophenol
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Picric acid乌梅WU MEIJapanese Apricot2,4,6-Trinitrophenol88-89-1Acide picriqueCarbazotic acidMeliniteNitroxanthic acidPicralPicronitric acidTrinitrophenol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN039878
Tcmid
17314
Sym Map
SMIT17216
Pub Chem
6954
Tcmbank
TCMBANKIN011354TCMBANKIN016970
Etcm Ingredient
Picric acid
Itcmdb Generated
ITX-INGREDIENT-4CF2D662B92CITX-INGREDIENT-87AD9703923F
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C6H3N3O7/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,10H
Mol Wt
229.104
Smiles
C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]
Mol Log P
1.116800000000001
Version
v1,v2
In Ch Ikey
OXNIZHLAWKMVMX-UHFFFAOYSA-N
Suppress
0
Tcm Name
乌梅
Tcm Name2
WU MEI
Mol2 Path
/TCM_database/2007_3d_all/17328.mol2
Reference
660
Num Hdonors
1
Tcm Name En
Japanese Apricot
Drug Likeness
0.602
Num Hacceptors
7
Isomeric Smiles
C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]
Canonical Smiles
C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]
Herb Alias Names
PICRIC ACID2,4,6-TrinitrophenolTrinitrophenol88-89-1Carbazotic acidPicronitric acidMeliniteAcide picriquePicralNitroxanthic acid
Molecular Weight
229.000
Molecular Weight
229.1 g/mol
Molecular Formula
C6H3N3O7
Molecular Formula
C6H2(NO2)3OH
Molecular Formula
C6H3N3O7
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.480
Quantitative Estimate Of Drug Likeness（Qed）
0.602