Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Target: 12Links: 16
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 14060
- Core Entity Id
- 18796
- Source Entity Count
- 1
- Preferred Name
- Cephalin
- Name En
- Pubchem Id
- 21668201
- Smiles Canonical
- CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC
- Molecular Formula
- C9H18NO8P
- Molecular Weight
- 299.2160
- Inchikey
- CFWRDBDJAOHXSH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H18NO8P/c1-7(11)15-5-9(18-8(2)12)6-17-19(13,14)16-4-3-10/h9H,3-6,10H2,1-2H3,(H,13,14)
- Isomeric Smiles
- CC(=O)OCC(COP(=O)(O)OCCN)OC(=O)C
- Cas Id
- Ob Score
- 23.5970
- Mol Logp
- -0.4265
- Num H Donors
- 2
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 9
- Drug Likeness
- 0.4290
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cephalin
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Cephalin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Cephalin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Cephalin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
cephalin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
cephalin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(2-aminoethoxy)[2,3-bis(acetyloxy)propoxy]phosphinic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(2-aminoethoxy)[2,3-bis(acetyloxy)propoxy]phosphinic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE
Role
alias
Source
HERB_v2
Preferred
No
Name
2-azaniumylethyl 2,3-diacetyloxypropyl phosphate
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-azaniumylethyl 2,3-diacetyloxypropyl phosphate
Role
alias
Source
HERB_v2
Preferred
No
Name
90989-93-8
Role
alias
Source
HERB_v2
Preferred
No
Name
90989-93-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID50920022
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID50920022
Role
alias
Source
HERB_v2
Preferred
No
Name
L-ALPHA-CEPHALIN
Role
alias
Source
HERB_v2
Preferred
No
Name
L-ALPHA-CEPHALIN
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL4572659
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL4572659
Role
alias
Source
HERB_v2
Preferred
No
Name
[2-acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropyl] acetate
Role
alias
Source
HERB_v2
Preferred
No
Name
[2-acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropyl] acetate
Role
alias
Source
itcmdb_public
Preferred
No
Name
alpha-Cephalin
Role
alias
Source
HERB_v2
Preferred
No
Name
alpha-Cephalin
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2-aminoethoxy)[2,3-bis(acetyloxy)propoxy]phosphinic acid1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE2-azaniumylethyl 2,3-diacetyloxypropyl phosphate90989-93-8DTXSID50920022L-ALPHA-CEPHALINSCHEMBL4572659[2-acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropyl] acetatealpha-Cephalin
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN020107
Tcmid
24372
Tcmsp
MOL010581
Sym Map
SMIT11607
Tcm Id
24554
Pub Chem
21668201
Tcmbank
TCMBANKIN017982
Etcm Ingredient
cephalin
Itcmdb Generated
ITX-INGREDIENT-70FB896E511C
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C9H18NO8P/c1-7(11)15-5-9(18-8(2)12)6-17-19(13,14)16-4-3-10/h9H,3-6,10H2,1-2H3,(H,13,14)
Mol Wt
299.2160000000001
Smiles
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC
Mol Log P
-0.4265000000000003
Version
v1,v2
In Ch Ikey
CFWRDBDJAOHXSH-UHFFFAOYSA-N
Ob Score
23.59723.59717423.59717428
Suppress
0
Num Hdonors
2
Drug Likeness
0.429
Num Hacceptors
8
Isomeric Smiles
CC(=O)OCC(COP(=O)(O)OCCN)OC(=O)C
Molecule Weight
271.19
Canonical Smiles
CC(=O)OCC(COP(=O)(O)OCCN)OC(=O)C
Herb Alias Names
90989-93-8[2-acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropyl] acetate2-azaniumylethyl 2,3-diacetyloxypropyl phosphate(2-aminoethoxy)[2,3-bis(acetyloxy)propoxy]phosphinic acidL-ALPHA-CEPHALIN1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINEalpha-CephalinSCHEMBL4572659DTXSID50920022
Molecular Weight
271.050
Molecular Weight
271.19
Molecular Formula
C7H14NO8P
Molecular Formula
C9H18NO8P
Num Rotatable Bonds
9
Fda Maximum Daily Dose (Fdamdd)
0.590
Quantitative Estimate Of Drug Likeness（Qed）
0.369