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: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 679
- Core Entity Id
- 3948
- Source Entity Count
- 1
- Preferred Name
- 2,4,6,8-tetramethyldecanoic acid
- Name En
- Pubchem Id
- 5312348
- Smiles Canonical
- CCC(C)CC(C)CC(C)CC(C)C(=O)O
- Molecular Formula
- C14H28O2
- Molecular Weight
- 228.3760
- Inchikey
- PXMIDIKFWCXFNC-UHFFFAOYSA-N
- Inchi
- InChI=1S/C14H28O2/c1-6-10(2)7-11(3)8-12(4)9-13(5)14(15)16/h10-13H,6-9H2,1-5H3,(H,15,16)
- Isomeric Smiles
- CCC(C)CC(C)CC(C)CC(C)C(=O)O
- Cas Id
- Ob Score
- Mol Logp
- 4.1957
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.6760
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,4,6,8-tetramethyldecanoic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2,4,6,8-tetramethyldecanoic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,4,6,8-tetramethyldecanoic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2,4,6,8-tetramethyl-decanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,4,6,8-tetramethyl-decanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:179794
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:179794
Role
alias
Source
itcmdb_public
Preferred
No
Name
Decanoic acid, 2,4,6,8-tetramethyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Decanoic acid, 2,4,6,8-tetramethyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
LMFA01020272
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMFA01020272
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL1684036
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL1684036
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,4,6,8-tetramethyldecanoic acid;(-)2d,4d,6d,8d-tetramethyl decanoic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
2,4,6,8-tetramethyl-decanoic acidCHEBI:179794Decanoic acid, 2,4,6,8-tetramethyl-LMFA01020272SCHEMBL16840362,4,6,8-tetramethyldecanoic acid;(-)2d,4d,6d,8d-tetramethyl decanoic acid
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN004239HBIN005488
Tcmid
2117832049
Pub Chem
5312348
Tcmbank
TCMBANKIN000861TCMBANKIN060660
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C14H28O2/c1-6-10(2)7-11(3)8-12(4)9-13(5)14(15)16/h10-13H,6-9H2,1-5H3,(H,15,16)
Mol Wt
228.376
Smiles
CCC(C)CC(C)CC(C)CC(C)C(=O)O
Mol Log P
4.195700000000003
In Ch Ikey
PXMIDIKFWCXFNC-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.676
Num Hacceptors
1
Isomeric Smiles
CCC(C)CC(C)CC(C)CC(C)C(=O)O
Canonical Smiles
CCC(C)CC(C)CC(C)CC(C)C(=O)O
Herb Alias Names
2,4,6,8-tetramethyl-decanoic acidDecanoic acid, 2,4,6,8-tetramethyl-LMFA01020272SCHEMBL1684036CHEBI:179794
Molecular Weight
228.37 g/mol
Molecular Formula
C14H28O2
Molecular Formula
C14H28O2
Num Rotatable Bonds
8