Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 14113
- Core Entity Id
- 18856
- Source Entity Count
- 1
- Preferred Name
- Ceryl cerotate
- Name En
- Pubchem Id
- 5315796
- Smiles Canonical
- CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC
- Molecular Formula
- C52H104O2
- Molecular Weight
- 761.4020
- Inchikey
- QZZYOHURAFAUTB-UHFFFAOYSA-N
- Inchi
- InChI=1S/C52H104O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-54-52(53)50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-51H2,1-2H3
- Isomeric Smiles
- CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC
- Cas Id
- 10210-18-1
- Ob Score
- 10.8640
- Mol Logp
- 19.2942
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 49
- Drug Likeness
- 0.0460
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ceryl Cerotate
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Ceryl cerotate
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ceryl cerotate
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Ceryl cerotate
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ceryl cerotate
Role
preferred
Source
TCMBank
Preferred
Yes
Name
10210-18-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
10210-18-1
Role
alias
Source
HERB_v2
Preferred
No
Name
AC1NSTH9
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL2573780
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL2573780
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL2573780
Role
alias
Source
TCMBank
Preferred
No
Name
cerotic acid hexacosyl ester
Role
alias
Source
TCMBank
Preferred
No
Name
ceryl cerotate
Role
alias
Source
TCMBank
Preferred
No
Name
ceryl cerotinate
Role
alias
Source
TCMBank
Preferred
No
Name
hexacosanoic acid hexacosyl ester
Role
alias
Source
TCMBank
Preferred
No
Name
hexacosyl hexacosanoate
Role
alias
Source
TCMBank
Preferred
No
Name
hexacosyl hexacosanoate
Role
alias
Source
HERB_v2
Preferred
No
Name
hexacosyl hexacosanoate
Role
alias
Source
itcmdb_public
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.
10210-18-1AC1NSTH9SCHEMBL2573780cerotic acid hexacosyl esterceryl cerotinatehexacosanoic acid hexacosyl esterhexacosyl hexacosanoate虫白蜡CHONG BAI LACera Chinensis Wax
Cross References
Trusted external identifiers retained for this final record.
Cas
10210-18-1
Herb
HBIN020164
Npass
NPC121497
Tcmid
3436
Tcmsp
MOL011057
Sym Map
SMIT12012SMIT14623
Pub Chem
5315796
Tcmbank
TCMBANKIN025367TCMBANKIN051214
Etcm Ingredient
Ceryl cerotate
Itcmdb Generated
ITX-INGREDIENT-3AF145B0F19EITX-INGREDIENT-8CB0E107961D
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C52H104O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-54-52(53)50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-51H2,1-2H3
Mol Wt
761.4019999999994
Cas Id
10210-18-1
Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC
Mol Log P
19.29419999999999
Version
v1,v2
In Ch Ikey
QZZYOHURAFAUTB-UHFFFAOYSA-N
Ob Score
10.86410.86400610.86400608
Suppress
1
Tcm Name
虫白蜡
Tcm Name2
CHONG BAI LA
Mol2 Path
/TCM_database/2003_3d_all/1310.mol2
Reference
6
Num Hdonors
0
Tcm Name En
Cera Chinensis Wax
Drug Likeness
0.046
Num Hacceptors
2
Isomeric Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC
Molecule Weight
761.56
Canonical Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC
Herb Alias Names
hexacosyl hexacosanoate10210-18-1hexacosylhexacosanoateSCHEMBL2573780
Molecular Weight
760.800
Molecular Weight
761.38
Molecule Formula
C52H104O2271
Molecular Formula
C52H104O2
Molecular Formula
C52H104O2
Molecular Formula
C52H104O2
Num Rotatable Bonds
49
Link Ingredient Id
12012.0
Fda Maximum Daily Dose (Fdamdd)
0.024
Quantitative Estimate Of Drug Likeness（Qed）
0.046