Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 12Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 794
- Core Entity Id
- 4076
- Source Entity Count
- 1
- Preferred Name
- 2,5,8,11,14-pentaoxahexadecan-16-ol
- Name En
- Pubchem Id
- 90255
- Smiles Canonical
- COCCOCCOCCOCCOCCO
- Molecular Formula
- C11H24O6
- Molecular Weight
- 252.3070
- Inchikey
- SLNYBUIEAMRFSZ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C11H24O6/c1-13-4-5-15-8-9-17-11-10-16-7-6-14-3-2-12/h12H,2-11H2,1H3
- Isomeric Smiles
- COCCOCCOCCOCCOCCO
- Cas Id
- Ob Score
- Mol Logp
- -0.3085
- Num H Donors
- 1
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 14
- Drug Likeness
- 0.4280
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,5,8,11,14-pentaoxahexadecan-16-ol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,5,8,11,14-pentaoxahexadecan-16-ol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2,5,8,11,14-pentaoxahexadecan-16-ol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
Role
alias
Source
HERB_v2
Preferred
No
Name
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
23778-52-1
Role
alias
Source
HERB_v2
Preferred
No
Name
23778-52-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,6,9,12,15-Pentaoxahexadecanol
Role
alias
Source
HERB_v2
Preferred
No
Name
3,6,9,12,15-Pentaoxahexadecanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00045995
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00045995
Role
alias
Source
itcmdb_public
Preferred
No
Name
Methyl-PEG5-alcohol
Role
alias
Source
HERB_v2
Preferred
No
Name
Methyl-PEG5-alcohol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pentaethylene glycol monomethyl ether
Role
alias
Source
HERB_v2
Preferred
No
Name
Pentaethylene glycol monomethyl ether
Role
alias
Source
itcmdb_public
Preferred
No
Name
m-PEG5-alcohol
Role
alias
Source
itcmdb_public
Preferred
No
Name
m-PEG5-alcohol
Role
alias
Source
HERB_v2
Preferred
No
Name
mPEG5-OH
Role
alias
Source
itcmdb_public
Preferred
No
Name
mPEG5-OH
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol23778-52-13,6,9,12,15-PentaoxahexadecanolMFCD00045995Methyl-PEG5-alcoholPentaethylene glycol monomethyl etherm-PEG5-alcoholmPEG5-OH
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN004594
Tcmid
40675
Pub Chem
90255
Tcmbank
TCMBANKIN001838
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C11H24O6/c1-13-4-5-15-8-9-17-11-10-16-7-6-14-3-2-12/h12H,2-11H2,1H3
Mol Wt
252.3069999999999
Smiles
COCCOCCOCCOCCOCCO
Mol Log P
-0.3084999999999982
In Ch Ikey
SLNYBUIEAMRFSZ-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.428
Num Hacceptors
6
Isomeric Smiles
COCCOCCOCCOCCOCCO
Canonical Smiles
COCCOCCOCCOCCOCCO
Herb Alias Names
23778-52-1Pentaethylene glycol monomethyl etherm-PEG5-alcoholmPEG5-OHMethyl-PEG5-alcohol3,6,9,12,15-Pentaoxahexadecanol2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOLMFCD00045995
Molecular Weight
252.3 g/mol
Molecular Formula
C11H24O6
Molecular Formula
C11H24O6
Num Rotatable Bonds
14