Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 11Ingredient: 1Links: 11
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1198
- Core Entity Id
- 4526
- Source Entity Count
- 1
- Preferred Name
- 2,6,10-trimethyltetradecane
- Name En
- Pubchem Id
- 85785
- Smiles Canonical
- CCCCC(C)CCCC(C)CCCC(C)C
- Molecular Formula
- C17H36
- Molecular Weight
- 240.4750
- Inchikey
- IMTCMWSWXFQQDL-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H36/c1-6-7-11-16(4)13-9-14-17(5)12-8-10-15(2)3/h15-17H,6-14H2,1-5H3
- Isomeric Smiles
- CCCCC(C)CCCC(C)CCCC(C)C
- Cas Id
- 14905-56-7
- Ob Score
- 3.1619
- Mol Logp
- 6.4454
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 11
- Drug Likeness
- 0.3890
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,6,10-Trimethyl-Tetradecane
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2,6,10-trimethyltetradecane
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2,6,10-trimethyltetradecane
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2,6,10-trimethyltetradecane
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
14905-56-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
14905-56-7
Role
alias
Source
HERB_v2
Preferred
No
Name
2,6,10-trimethyl-tetradecane
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,6,10-trimethyl-tetradecane
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID90933535
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID90933535
Role
alias
Source
itcmdb_public
Preferred
No
Name
NS00076509
Role
alias
Source
HERB_v2
Preferred
No
Name
NS00076509
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tetradecane, 2,6,10-trimethyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Tetradecane, 2,6,10-trimethyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
UKT7FUH5HQ
Role
alias
Source
HERB_v2
Preferred
No
Name
UKT7FUH5HQ
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-UKT7FUH5HQ
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-UKT7FUH5HQ
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2,6,10-Trimethyl-Tetradecane14905-56-7DTXSID90933535NS00076509Tetradecane, 2,6,10-trimethyl-UKT7FUH5HQUNII-UKT7FUH5HQ
Cross References
Trusted external identifiers retained for this final record.
Cas
14905-56-7
Herb
HBIN004829
Npass
NPC274502
Tcmid
406664066742898
Tcmsp
MOL003458MOL005532
Sym Map
SMIT05521SMIT07278
Pub Chem
85785
Etcm Ingredient
2,6,10-trimethyltetradecane
Itcmdb Generated
ITX-INGREDIENT-D18209F203D0
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C17H36/c1-6-7-11-16(4)13-9-14-17(5)12-8-10-15(2)3/h15-17H,6-14H2,1-5H3
Mol Wt
240.475
Cas Id
14905-56-7
Mol Log P
6.445400000000007
Version
v1
In Ch Ikey
IMTCMWSWXFQQDL-UHFFFAOYSA-N
Ob Score
3.1618844883.161884488;3.931959175
Suppress
0
Num Hdonors
0
Drug Likeness
0.389
Num Hacceptors
0
Isomeric Smiles
CCCCC(C)CCCC(C)CCCC(C)C
Molecule Weight
240.53
Canonical Smiles
CCCCC(C)CCCC(C)CCCC(C)C
Herb Alias Names
Tetradecane, 2,6,10-trimethyl-14905-56-7UKT7FUH5HQUNII-UKT7FUH5HQ2,6,10-trimethyl-tetradecaneDTXSID90933535NS00076509
Molecular Weight
240.280
Molecular Formula
C17H36
Molecular Formula
C17H36
Num Rotatable Bonds
11
Fda Maximum Daily Dose (Fdamdd)
0.021
Quantitative Estimate Of Drug Likeness（Qed）
0.389