Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1192
- Core Entity Id
- 4519
- Source Entity Count
- 1
- Preferred Name
- 2,6,10,15-tetramethylheptadecane
- Name En
- Pubchem Id
- 41209
- Smiles Canonical
- CCC(C)CCCCC(C)CCCC(C)CCCC(C)C
- Molecular Formula
- C21H44
- Molecular Weight
- 296.5830
- Inchikey
- ZZEQNXPBKOFTBG-UHFFFAOYSA-N
- Inchi
- InChI=1S/C21H44/c1-7-19(4)13-8-9-14-20(5)16-11-17-21(6)15-10-12-18(2)3/h18-21H,7-17H2,1-6H3
- Isomeric Smiles
- CCC(C)CCCCC(C)CCCC(C)CCCC(C)C
- Cas Id
- 54833-48-6
- Ob Score
- 13.7338
- Mol Logp
- 7.8617
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 14
- Drug Likeness
- 0.2860
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,6,10,15-Tetramethylheptadecane
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2,6,10,15-tetramethylheptadecane
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2,6,10,15-tetramethylheptadecane
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2,6,10,15-tetramethylheptadecane
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2,6,10,15-tetramethyl-heptadecane
Role
alias
Source
HERB_v2
Preferred
No
Name
2,6,10,15-tetramethyl-heptadecane
Role
alias
Source
itcmdb_public
Preferred
No
Name
54833-48-6
Role
alias
Source
HERB_v2
Preferred
No
Name
54833-48-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:84230
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:84230
Role
alias
Source
itcmdb_public
Preferred
No
Name
DB-216744
Role
alias
Source
HERB_v2
Preferred
No
Name
DB-216744
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID6058635
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID6058635
Role
alias
Source
HERB_v2
Preferred
No
Name
Heptadecane, 2,6,10,15-tetramethyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
LMFA11000601
Role
alias
Source
HERB_v2
Preferred
No
Name
LMFA11000601
Role
alias
Source
itcmdb_public
Preferred
No
Name
heptadecane, 2,6,10,15-tetramethyl
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2,6,10,15-tetramethyl-heptadecane54833-48-6CHEBI:84230DB-216744DTXSID6058635Heptadecane, 2,6,10,15-tetramethyl-LMFA11000601heptadecane, 2,6,10,15-tetramethyl
Cross References
Trusted external identifiers retained for this final record.
Cas
54833-48-6
Herb
HBIN004822HBIN029076
Npass
NPC291261
Tcmid
4060440605
Tcmsp
MOL005277MOL009625
Sym Map
SMIT07060
Pub Chem
41209
Tcmbank
TCMBANKIN060666
Etcm Ingredient
2,6,10,15-tetramethylheptadecane
Itcmdb Generated
ITX-INGREDIENT-DFC4B7536074
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C21H44/c1-7-19(4)13-8-9-14-20(5)16-11-17-21(6)15-10-12-18(2)3/h18-21H,7-17H2,1-6H3
Mol Wt
296.583
Cas Id
54833-48-6
Smiles
CCC(C)CCCCC(C)CCCC(C)CCCC(C)C
Mol Log P
7.861700000000009
Version
v1,v2
In Ch Ikey
ZZEQNXPBKOFTBG-UHFFFAOYSA-N
Ob Score
13.7337772713.734
Suppress
0
Num Hdonors
0
Drug Likeness
0.286
Num Hacceptors
0
Isomeric Smiles
CCC(C)CCCCC(C)CCCC(C)CCCC(C)C
Molecule Weight
296.65
Canonical Smiles
CCC(C)CCCCC(C)CCCC(C)CCCC(C)C
Herb Alias Names
54833-48-6Heptadecane, 2,6,10,15-tetramethyl-2,6,10,15-tetramethyl-heptadecaneheptadecane, 2,6,10,15-tetramethylDTXSID6058635CHEBI:84230LMFA110006012,6,10,15-Tetramethylheptadecane #DB-216744
Molecular Weight
296.340
Molecular Weight
296.6 g/mol
Molecular Formula
C21H44
Molecular Formula
C21H44
Molecular Formula
C21H44
Num Rotatable Bonds
14
Fda Maximum Daily Dose (Fdamdd)
0.025
Quantitative Estimate Of Drug Likeness（Qed）
0.286