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
- 17435
- Core Entity Id
- 22548
- Source Entity Count
- 1
- Preferred Name
- Distearyl phosphate
- Name En
- Pubchem Id
- 76433
- Smiles Canonical
- CCCCCCCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCCCCCCCC
- Molecular Formula
- C36H75O4P
- Molecular Weight
- 602.9660
- Inchikey
- FRXGWNKDEMTFPL-UHFFFAOYSA-N
- Inchi
- InChI=1S/C36H75O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-41(37,38)40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3,(H,37,38)
- Isomeric Smiles
- CCCCCCCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCCCCCCCC
- Cas Id
- 3037-89-6
- Ob Score
- 15.6347
- Mol Logp
- 13.6430
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 36
- Drug Likeness
- 0.0570
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Distearyl Phosphate
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Distearyl Phosphate
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Distearyl phosphate
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Distearyl phosphate
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Distearyl phosphate
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Distearyl phosphate
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
143476-57-7
Role
alias
Source
TCMBank
Preferred
No
Name
3037-89-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
3037-89-6
Role
alias
Source
TCMBank
Preferred
No
Name
3037-89-6
Role
alias
Source
HERB_v2
Preferred
No
Name
Dioctadecyl hydrogen phosphate
Role
alias
Source
HERB_v2
Preferred
No
Name
Dioctadecyl hydrogen phosphate
Role
alias
Source
TCMBank
Preferred
No
Name
Dioctadecyl hydrogen phosphate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dioctadecyl orthophosphate
Role
alias
Source
TCMBank
Preferred
No
Name
Dioctadecyl orthophosphate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dioctadecyl orthophosphate
Role
alias
Source
HERB_v2
Preferred
No
Name
Dioctadecyl phosphate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dioctadecyl phosphate
Role
alias
Source
TCMBank
Preferred
No
Name
Dioctadecyl phosphate
Role
alias
Source
HERB_v2
Preferred
No
Name
Distearyl acid phosphate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Distearyl acid phosphate
Role
alias
Source
TCMBank
Preferred
No
Name
Distearyl acid phosphate
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 221-237-8
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 2681
Role
alias
Source
TCMBank
Preferred
No
Name
Phosphated stearyl alcohol
Role
alias
Source
HERB_v2
Preferred
No
Name
Phosphated stearyl alcohol
Role
alias
Source
TCMBank
Preferred
No
Name
Phosphated stearyl alcohol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phosphoric acid, dioctadecyl ester
Role
alias
Source
HERB_v2
Preferred
No
Name
Phosphoric acid, dioctadecyl ester
Role
alias
Source
TCMBank
Preferred
No
Name
Phosphoric acid, dioctadecyl ester
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-47N7586GSW
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-47N7586GSW
Role
alias
Source
itcmdb_public
Preferred
No
Name
di-n-Octadecyl phosphate
Role
alias
Source
HERB_v2
Preferred
No
Name
di-n-Octadecyl phosphate
Role
alias
Source
itcmdb_public
Preferred
No
Name
distearyl hydrogen phosphate
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
143476-57-73037-89-6Dioctadecyl hydrogen phosphateDioctadecyl orthophosphateDioctadecyl phosphateDistearyl acid phosphateEINECS 221-237-8NSC 2681Phosphated stearyl alcoholPhosphoric acid, dioctadecyl esterUNII-47N7586GSWdi-n-Octadecyl phosphatedistearyl hydrogen phosphate
Cross References
Trusted external identifiers retained for this final record.
Cas
3037-89-6
Herb
HBIN024261
Tcmsp
MOL005804
Sym Map
SMIT07512
Pub Chem
76433
Tcmbank
TCMBANKIN008053
Etcm Ingredient
Distearyl phosphate
Itcmdb Generated
ITX-INGREDIENT-0D86351305B9
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C36H75O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-41(37,38)40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3,(H,37,38)
Mol Wt
602.966
Cas Id
3037-89-6
Smiles
CCCCCCCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCCCCCCCC
Mol Log P
13.64299999999997
Version
v1,v2
In Ch Ikey
FRXGWNKDEMTFPL-UHFFFAOYSA-N
Ob Score
15.63471615.6347161115.635
Suppress
0
Num Hdonors
1
Drug Likeness
0.057
Num Hacceptors
3
Isomeric Smiles
CCCCCCCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCCCCCCCC
Molecule Weight
603.08
Canonical Smiles
CCCCCCCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCCCCCCCC
Herb Alias Names
Dioctadecyl hydrogen phosphate3037-89-6di-n-Octadecyl phosphateDioctadecyl phosphateDistearyl acid phosphateDioctadecyl orthophosphatePhosphoric acid, dioctadecyl esterPhosphated stearyl alcoholUNII-47N7586GSW
Molecular Weight
602.540
Molecular Weight
602.95
Molecular Formula
C36H75O4P
Molecular Formula
C36H75O4P
Molecular Formula
C36H75O4P
Num Rotatable Bonds
36
Fda Maximum Daily Dose (Fdamdd)
0.025
Quantitative Estimate Of Drug Likeness（Qed）
0.053