Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 389
- Core Entity Id
- 3626
- Source Entity Count
- 1
- Preferred Name
- 2,3,5,8-tetramethyldecane
- Name En
- Pubchem Id
- 545611
- Smiles Canonical
- CCC(C)CCC(C)CC(C)C(C)C
- Molecular Formula
- C14H30
- Molecular Weight
- 198.3940
- Inchikey
- XTIADNINQBIUNR-UHFFFAOYSA-N
- Inchi
- InChI=1S/C14H30/c1-7-12(4)8-9-13(5)10-14(6)11(2)3/h11-14H,7-10H2,1-6H3
- Isomeric Smiles
- CCC(C)CCC(C)CC(C)C(C)C
- Cas Id
- 192823-15-7
- Ob Score
- 4.0075
- Mol Logp
- 5.1310
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.5320
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,3,5,8-Tetramethyldecane
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2,3,5,8-tetramethyldecane
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2,3,5,8-tetramethyldecane
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
192823-15-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
192823-15-7
Role
alias
Source
HERB_v2
Preferred
No
Name
2,3,5,8-Tetramethyldecane #
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,3,5,8-Tetramethyldecane #
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:84227
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:84227
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID70337936
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID70337936
Role
alias
Source
itcmdb_public
Preferred
No
Name
Decane, 2,3,5,8-tetramethyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Decane, 2,3,5,8-tetramethyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
NS00010715
Role
alias
Source
HERB_v2
Preferred
No
Name
NS00010715
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27157597
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27157597
Role
alias
Source
itcmdb_public
Preferred
No
Name
XTIADNINQBIUNR-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
XTIADNINQBIUNR-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,3,5,8-tetramethyldecane;Decane, 2,3,5,8-tetramethyl-
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
192823-15-72,3,5,8-Tetramethyldecane #CHEBI:84227DTXSID70337936Decane, 2,3,5,8-tetramethyl-NS00010715Q27157597XTIADNINQBIUNR-UHFFFAOYSA-N2,3,5,8-tetramethyldecane;Decane, 2,3,5,8-tetramethyl-
Cross References
Trusted external identifiers retained for this final record.
Cas
192823-15-7
Herb
HBIN003918HBIN022901
Npass
NPC167545
Tcmid
40815
Tcmsp
MOL012554
Sym Map
SMIT13298
Pub Chem
545611
Tcmbank
TCMBANKIN060662
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C14H30/c1-7-12(4)8-9-13(5)10-14(6)11(2)3/h11-14H,7-10H2,1-6H3
Mol Wt
198.394
Cas Id
192823-15-7
Smiles
CCC(C)CCC(C)CC(C)C(C)C
Mol Log P
5.131000000000006
Version
v1,v2
In Ch Ikey
XTIADNINQBIUNR-UHFFFAOYSA-N
Ob Score
4.0075135554.008
Suppress
0
Num Hdonors
0
Drug Likeness
0.532
Num Hacceptors
0
Isomeric Smiles
CCC(C)CCC(C)CC(C)C(C)C
Molecule Weight
198.44
Canonical Smiles
CCC(C)CCC(C)CC(C)C(C)C
Herb Alias Names
Decane, 2,3,5,8-tetramethyl-192823-15-72,3,5,8-Tetramethyldecane #CHEBI:84227DTXSID70337936XTIADNINQBIUNR-UHFFFAOYSA-NNS00010715Q27157597
Molecular Weight
198.39
Molecular Formula
C14H30
Molecular Formula
C14H30
Num Rotatable Bonds
7