Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 4714
- Core Entity Id
- 8430
- Source Entity Count
- 1
- Preferred Name
- 3-methyl-heneicosane
- Name En
- Pubchem Id
- 522120
- Smiles Canonical
- CCCCCCCCCCCCCCCCCCC(C)CC
- Molecular Formula
- C22H46
- Molecular Weight
- 310.6100
- Inchikey
- OSJUENOXPFOHLF-UHFFFAOYSA-N
- Inchi
- InChI=1S/C22H46/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(3)5-2/h22H,4-21H2,1-3H3
- Isomeric Smiles
- CCCCCCCCCCCCCCCCCCC(C)CC
- Cas Id
- Ob Score
- Mol Logp
- 8.6841
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 18
- Drug Likeness
- 0.2220
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3- Methyl-Heneicosane
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
3- Methyl-Heneicosane
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3- methyl-Heneicosane
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-methyl-heneicosane
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3-methyl-heneicosane
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
3-Methylheneicosane
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Methylheneicosane
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Methylhenicosane
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Methylhenicosane #
Role
alias
Source
itcmdb_public
Preferred
No
Name
6418-47-9
Role
alias
Source
HERB_v2
Preferred
No
Name
6418-47-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
A11151
Role
alias
Source
HERB_v2
Preferred
No
Name
A11151
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS028108673
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS028108673
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID30982704
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID30982704
Role
alias
Source
itcmdb_public
Preferred
No
Name
Heneicosane, 3-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Heneicosane, 3-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMFA11000394
Role
alias
Source
HERB_v2
Preferred
No
Name
LMFA11000394
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3- Methyl-Heneicosane3-Methylheneicosane3-Methylhenicosane3-Methylhenicosane #6418-47-9A11151AKOS028108673DTXSID30982704Heneicosane, 3-methyl-LMFA11000394
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN008942
Tcmid
38692
Sym Map
SMIT21072
Pub Chem
522120
Tcmbank
TCMBANKIN028157
Itcmdb Generated
ITX-INGREDIENT-4FE1433B97D3
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C22H46/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(3)5-2/h22H,4-21H2,1-3H3
Mol Wt
310.61
Smiles
CCCCCCCCCCCCCCCCCCC(C)CC
Mol Log P
8.684100000000004
Version
v2
In Ch Ikey
OSJUENOXPFOHLF-UHFFFAOYSA-N
Suppress
0
Num Hdonors
0
Drug Likeness
0.222
Num Hacceptors
0
Isomeric Smiles
CCCCCCCCCCCCCCCCCCC(C)CC
Canonical Smiles
CCCCCCCCCCCCCCCCCCC(C)CC
Herb Alias Names
3-Methylheneicosane3-MethylhenicosaneHeneicosane, 3-methyl-6418-47-93-Methylhenicosane #DTXSID30982704LMFA11000394AKOS028108673A11151
Molecular Weight
310.6 g/mol
Molecular Formula
C22H46
Molecular Formula
C22H46
Num Rotatable Bonds
18