Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 14114
- Core Entity Id
- 18857
- Source Entity Count
- 1
- Preferred Name
- Ceryl lignocerate
- Name En
- Pubchem Id
- 5315798
- Smiles Canonical
- CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCC
- Molecular Formula
- C50H100O2
- Molecular Weight
- 733.3480
- Inchikey
- IMCKMHHQCQXGSC-UHFFFAOYSA-N
- Inchi
- InChI=1S/C50H100O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-29-31-33-35-37-39-41-43-45-47-49-52-50(51)48-46-44-42-40-38-36-34-32-30-28-24-22-20-18-16-14-12-10-8-6-4-2/h3-49H2,1-2H3
- Isomeric Smiles
- CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCC
- Cas Id
- Ob Score
- Mol Logp
- 18.5140
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 47
- Drug Likeness
- 0.0460
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ceryl Lignocerate
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Ceryl lignocerate
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ceryl lignocerate
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
ceryl lignocerate
Role
preferred
Source
TCMBank
Preferred
Yes
Name
121878-03-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
121878-03-3
Role
alias
Source
HERB_v2
Preferred
No
Name
9ASK20GT06
Role
alias
Source
itcmdb_public
Preferred
No
Name
9ASK20GT06
Role
alias
Source
HERB_v2
Preferred
No
Name
Hexacosanyl tetracosanoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hexacosanyl tetracosanoate
Role
alias
Source
HERB_v2
Preferred
No
Name
Hexacosyl tetracosanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hexacosyl tetracosanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
N-Hexacosyl N-tetracosanoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-Hexacosyl N-tetracosanoate
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL21044623
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL21044623
Role
alias
Source
HERB_v2
Preferred
No
Name
Tetracosanoic acid, hexacosyl ester
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tetracosanoic acid, hexacosyl ester
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-9ASK20GT06
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-9ASK20GT06
Role
alias
Source
itcmdb_public
Preferred
No
Name
hexacosyl tetracosanoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
hexacosyl tetracosanoate
Role
alias
Source
HERB_v2
Preferred
No
Name
虫白蜡
Role
TCM_name
Source
TCMBank
Preferred
No
Name
CHONG BAI LA
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Cera Chinensis Wax
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
121878-03-39ASK20GT06Hexacosanyl tetracosanoateHexacosyl tetracosanoic acidN-Hexacosyl N-tetracosanoateSCHEMBL21044623Tetracosanoic acid, hexacosyl esterUNII-9ASK20GT06hexacosyl tetracosanoate虫白蜡CHONG BAI LACera Chinensis Wax
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN020165
Npass
NPC101078
Tcmid
3437
Sym Map
SMIT22880
Pub Chem
5315798
Tcmbank
TCMBANKIN032796TCMBANKIN055392
Itcmdb Generated
ITX-INGREDIENT-1EDFF1E6C971ITX-INGREDIENT-341799A50343
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C50H100O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-29-31-33-35-37-39-41-43-45-47-49-52-50(51)48-46-44-42-40-38-36-34-32-30-28-24-22-20-18-16-14-12-10-8-6-4-2/h3-49H2,1-2H3
Mol Wt
733.3479999999995
Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCC
Mol Log P
18.51399999999998
Version
v2
In Ch Ikey
IMCKMHHQCQXGSC-UHFFFAOYSA-N
Suppress
0
Tcm Name
虫白蜡
Tcm Name2
CHONG BAI LA
Mol2 Path
/TCM_database/2003_3d_all/1311.mol2
Reference
6
Num Hdonors
0
Tcm Name En
Cera Chinensis Wax
Drug Likeness
0.046
Num Hacceptors
2
Isomeric Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCC
Canonical Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCC
Herb Alias Names
hexacosyl tetracosanoateHexacosanyl tetracosanoateN-Hexacosyl N-tetracosanoate9ASK20GT06Tetracosanoic acid, hexacosyl ester121878-03-3UNII-9ASK20GT06hexacosyltetracosanoateHexacosyl tetracosanoic acidSCHEMBL21044623
Molecular Formula
C50H100O2
Molecular Formula
C50H100O2
Num Rotatable Bonds
47