Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 5Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 26277
- Core Entity Id
- 32398
- Source Entity Count
- 1
- Preferred Name
- Methyl lignite
- Name En
- Pubchem Id
- 297
- Smiles Canonical
- C
- Molecular Formula
- CH4
- Molecular Weight
- 16.0430
- Inchikey
- VNWKTOKETHGBQD-UHFFFAOYSA-N
- Inchi
- InChI=1S/CH4/h1H4
- Isomeric Smiles
- C
- Cas Id
- Ob Score
- Mol Logp
- 0.6361
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.3600
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Methyl Lignite
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Methyl Lignite
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Methyl lignite
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Methyl lignite
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Methyl lignite
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
02329_FLUKA
Role
alias
Source
HERB_v2
Preferred
No
Name
02329_FLUKA
Role
alias
Source
itcmdb_public
Preferred
No
Name
0CB689EE-132E-4559-A597-C79A40192203
Role
alias
Source
HERB_v2
Preferred
No
Name
0CB689EE-132E-4559-A597-C79A40192203
Role
alias
Source
itcmdb_public
Preferred
No
Name
14493-06-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
14493-06-2
Role
alias
Source
HERB_v2
Preferred
No
Name
150036-83-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
150036-83-2
Role
alias
Source
HERB_v2
Preferred
No
Name
295477_ALDRICH
Role
alias
Source
HERB_v2
Preferred
No
Name
295477_ALDRICH
Role
alias
Source
itcmdb_public
Preferred
No
Name
3B4-2254
Role
alias
Source
HERB_v2
Preferred
No
Name
3B4-2254
Role
alias
Source
itcmdb_public
Preferred
No
Name
463035_ALDRICH
Role
alias
Source
itcmdb_public
Preferred
No
Name
463035_ALDRICH
Role
alias
Source
HERB_v2
Preferred
No
Name
490210_ALDRICH
Role
alias
Source
itcmdb_public
Preferred
No
Name
490210_ALDRICH
Role
alias
Source
HERB_v2
Preferred
No
Name
74-82-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
74-82-8
Role
alias
Source
HERB_v2
Preferred
No
Name
8006-14-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
8006-14-2
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
02329_FLUKA0CB689EE-132E-4559-A597-C79A4019220314493-06-2150036-83-2295477_ALDRICH3B4-2254463035_ALDRICH490210_ALDRICH74-82-88006-14-2
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN035294
Npass
NPC98121
Tcmid
38228
Sym Map
SMIT25390
Pub Chem
297
Tcmbank
TCMBANKIN016758
Itcmdb Generated
ITX-INGREDIENT-29C1055E849C
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/CH4/h1H4
Mol Wt
16.043
Smiles
C
Mol Log P
0.6361
Version
v2
In Ch Ikey
VNWKTOKETHGBQD-UHFFFAOYSA-N
Suppress
0
Num Hdonors
0
Drug Likeness
0.36
Num Hacceptors
0
Isomeric Smiles
C
Canonical Smiles
C
Herb Alias Names
02329_FLUKA0CB689EE-132E-4559-A597-C79A4019220314493-06-2150036-83-2295477_ALDRICH3B4-2254463035_ALDRICH490210_ALDRICH74-82-88006-14-2
Molecular Formula
CH4
Molecular Formula
CH4
Num Rotatable Bonds
0