Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6401
- Core Entity Id
- 10293
- Source Entity Count
- 1
- Preferred Name
- 4-stearylmorpholine
- Name En
- Pubchem Id
- 85475
- Smiles Canonical
- CCCCCCCCCCCCCCCCCCN1CCOCC1
- Molecular Formula
- C22H45NO
- Molecular Weight
- 339.6080
- Inchikey
- GSMSOLOCRKCJMR-UHFFFAOYSA-N
- Inchi
- InChI=1S/C22H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-19-21-24-22-20-23/h2-22H2,1H3
- Isomeric Smiles
- CCCCCCCCCCCCCCCCCCN1CCOCC1
- Cas Id
- 16528-77-1
- Ob Score
- 14.8020
- Mol Logp
- 6.5801
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 17
- Drug Likeness
- 0.2770
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4-Stearylmorpholine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
4-Stearylmorpholine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
4-stearylmorpholine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
4-stearylmorpholine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4-stearylmorpholine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
4-stearylmorpholine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
16528-77-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
16528-77-1
Role
alias
Source
TCMBank
Preferred
No
Name
16528-77-1
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Octadecylmorpholine
Role
alias
Source
TCMBank
Preferred
No
Name
4-Octadecylmorpholine
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Octadecylmorpholine #
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID30167877
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID30167877
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 240-595-6
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 240-595-6
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 240-595-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00224838
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00224838
Role
alias
Source
itcmdb_public
Preferred
No
Name
Morpholine, 4-octadecyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Morpholine, 4-octadecyl-
Role
alias
Source
TCMBank
Preferred
No
Name
Morpholine,4-octadecyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL121880
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL121880
Role
alias
Source
itcmdb_public
Preferred
No
Name
stearylmorpholin
Role
alias
Source
HERB_v2
Preferred
No
Name
stearylmorpholin
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
16528-77-14-Octadecylmorpholine4-Octadecylmorpholine #DTXSID30167877EINECS 240-595-6MFCD00224838Morpholine, 4-octadecyl-Morpholine,4-octadecyl-SCHEMBL121880stearylmorpholin
Cross References
Trusted external identifiers retained for this final record.
Cas
16528-77-1
Herb
HBIN010915
Tcmsp
MOL003092
Sym Map
SMIT05226
Pub Chem
85475
Tcmbank
TCMBANKIN003555
Etcm Ingredient
4-stearylmorpholine
Itcmdb Generated
ITX-INGREDIENT-D08BADB50325
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C22H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-19-21-24-22-20-23/h2-22H2,1H3
Mol Wt
339.6080000000001
Cas Id
16528-77-1
Smiles
CCCCCCCCCCCCCCCCCCN1CCOCC1
Mol Log P
6.580100000000007
Version
v1,v2
In Ch Ikey
GSMSOLOCRKCJMR-UHFFFAOYSA-N
Ob Score
14.80214.80232714.8023272
Suppress
0
Num Hdonors
0
Drug Likeness
0.277
Num Hacceptors
2
Isomeric Smiles
CCCCCCCCCCCCCCCCCCN1CCOCC1
Molecule Weight
339.68
Canonical Smiles
CCCCCCCCCCCCCCCCCCN1CCOCC1
Herb Alias Names
4-Octadecylmorpholine16528-77-1Morpholine, 4-octadecyl-Morpholine,4-octadecyl-stearylmorpholinEINECS 240-595-6MFCD002248384-Octadecylmorpholine #SCHEMBL121880DTXSID30167877
Molecular Weight
339.350
Molecular Weight
339.6
Molecular Formula
C22H45NO
Molecular Formula
C22H45NO
Molecular Formula
C22H45NO
Num Rotatable Bonds
17
Fda Maximum Daily Dose (Fdamdd)
0.023
Quantitative Estimate Of Drug Likeness（Qed）
0.277