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
- 14115
- Core Entity Id
- 18858
- Source Entity Count
- 1
- Preferred Name
- Ceryl montanate
- Name En
- Pubchem Id
- 5315799
- Smiles Canonical
- CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCC
- Molecular Formula
- C54H108O2
- Molecular Weight
- 789.4560
- Inchikey
- VOANROFRWLABEW-UHFFFAOYSA-N
- Inchi
- InChI=1S/C54H108O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-32-34-36-38-40-42-44-46-48-50-52-54(55)56-53-51-49-47-45-43-41-39-37-35-33-31-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-53H2,1-2H3
- Isomeric Smiles
- CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCC
- Cas Id
- Ob Score
- Mol Logp
- 20.0744
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 51
- Drug Likeness
- 0.0450
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ceryl Montanate
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Ceryl montanate
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ceryl montanate
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
ceryl montanate
Role
preferred
Source
TCMBank
Preferred
Yes
Name
SCHEMBL21315857
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL21315857
Role
alias
Source
HERB_v2
Preferred
No
Name
hexacosyl octacosanoate
Role
alias
Source
HERB_v2
Preferred
No
Name
hexacosyl octacosanoate
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.
SCHEMBL21315857hexacosyl octacosanoate虫白蜡CHONG BAI LACera Chinensis Wax
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN020166
Npass
NPC138779
Tcmid
3438
Sym Map
SMIT22881
Pub Chem
5315799
Tcmbank
TCMBANKIN014076TCMBANKIN052846
Itcmdb Generated
ITX-INGREDIENT-DBA7600222A2ITX-INGREDIENT-1B9B6E87F0C4
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C54H108O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-32-34-36-38-40-42-44-46-48-50-52-54(55)56-53-51-49-47-45-43-41-39-37-35-33-31-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-53H2,1-2H3
Mol Wt
789.4559999999992
Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCC
Mol Log P
20.07439999999999
Version
v2
In Ch Ikey
VOANROFRWLABEW-UHFFFAOYSA-N
Suppress
0
Tcm Name
虫白蜡
Tcm Name2
CHONG BAI LA
Mol2 Path
/TCM_database/2003_3d_all/1312.mol2
Reference
6
Num Hdonors
0
Tcm Name En
Cera Chinensis Wax
Drug Likeness
0.045
Num Hacceptors
2
Isomeric Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCC
Canonical Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCC
Herb Alias Names
hexacosyl octacosanoateSCHEMBL21315857
Molecular Formula
C54H108O2
Molecular Formula
C54H108O2
Num Rotatable Bonds
51