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: 1Ingredient: 1Target: 12Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 28242
- Core Entity Id
- 34577
- Source Entity Count
- 1
- Preferred Name
- Octaethylene glycol monododecyl ether
- Name En
- Pubchem Id
- 123921
- Smiles Canonical
- CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO
- Molecular Formula
- C28H58O9
- Molecular Weight
- 538.7630
- Inchikey
- YYELLDKEOUKVIQ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C28H58O9/c1-2-3-4-5-6-7-8-9-10-11-13-30-15-17-32-19-21-34-23-25-36-27-28-37-26-24-35-22-20-33-18-16-31-14-12-29/h29H,2-28H2,1H3
- Isomeric Smiles
- CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO
- Cas Id
- Ob Score
- Mol Logp
- 4.0324
- Num H Donors
- 1
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 34
- Drug Likeness
- 0.1220
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Octaethylene glycol monododecyl ether
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Octaethylene glycol monododecyl ether
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
octaethylene glycol monododecyl ether
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3,6,9,12,15,18,21,24-Octaoxahexatriacontan-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,6,9,12,15,18,21,24-Octaoxahexatriacontan-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
3055-98-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
3055-98-9
Role
alias
Source
HERB_v2
Preferred
No
Name
C12E8
Role
alias
Source
HERB_v2
Preferred
No
Name
C12E8
Role
alias
Source
itcmdb_public
Preferred
No
Name
O-DODECANYL OCTAETHYLENE GLYCOL
Role
alias
Source
itcmdb_public
Preferred
No
Name
O-DODECANYL OCTAETHYLENE GLYCOL
Role
alias
Source
HERB_v2
Preferred
No
Name
Octaethylene Glycol Mono-N-Dodecyl Ether
Role
alias
Source
HERB_v2
Preferred
No
Name
Octaethylene Glycol Mono-N-Dodecyl Ether
Role
alias
Source
itcmdb_public
Preferred
No
Name
Octaethyleneglycol monododecyl ether
Role
alias
Source
itcmdb_public
Preferred
No
Name
Octaethyleneglycol monododecyl ether
Role
alias
Source
HERB_v2
Preferred
No
Name
Octaethyleneglycol-dodecylmonoether
Role
alias
Source
itcmdb_public
Preferred
No
Name
Octaethyleneglycol-dodecylmonoether
Role
alias
Source
HERB_v2
Preferred
No
Name
dodecyloctaethyleneglycol monoether
Role
alias
Source
HERB_v2
Preferred
No
Name
dodecyloctaethyleneglycol monoether
Role
alias
Source
itcmdb_public
Preferred
No
Name
n-Dodecyl octaethylene glycol monoether
Role
alias
Source
HERB_v2
Preferred
No
Name
n-Dodecyl octaethylene glycol monoether
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3,6,9,12,15,18,21,24-Octaoxahexatriacontan-1-ol3055-98-9C12E8O-DODECANYL OCTAETHYLENE GLYCOLOctaethylene Glycol Mono-N-Dodecyl EtherOctaethyleneglycol monododecyl etherOctaethyleneglycol-dodecylmonoetherdodecyloctaethyleneglycol monoethern-Dodecyl octaethylene glycol monoether
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN037778
Npass
NPC152008
Tcmid
32589
Pub Chem
123921
Tcmbank
TCMBANKIN033795
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C28H58O9/c1-2-3-4-5-6-7-8-9-10-11-13-30-15-17-32-19-21-34-23-25-36-27-28-37-26-24-35-22-20-33-18-16-31-14-12-29/h29H,2-28H2,1H3
Mol Wt
538.7630000000006
Smiles
CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO
Mol Log P
4.032400000000004
In Ch Ikey
YYELLDKEOUKVIQ-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.122
Num Hacceptors
9
Isomeric Smiles
CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO
Canonical Smiles
CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO
Herb Alias Names
3055-98-9Octaethyleneglycol monododecyl etherC12E83,6,9,12,15,18,21,24-Octaoxahexatriacontan-1-oldodecyloctaethyleneglycol monoetherO-DODECANYL OCTAETHYLENE GLYCOLOctaethylene Glycol Mono-N-Dodecyl EtherOctaethyleneglycol-dodecylmonoethern-Dodecyl octaethylene glycol monoether
Molecular Weight
538.8 g/mol
Molecular Formula
C28H58O9
Molecular Formula
C28H58O9
Num Rotatable Bonds
34