Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 21245
- Core Entity Id
- 26801
- Source Entity Count
- 1
- Preferred Name
- Heptacosyl heptacosanate
- Name En
- Pubchem Id
- 5318008
- Smiles Canonical
- CCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCC
- Molecular Formula
- C54H108O2
- Molecular Weight
- 789.4560
- Inchikey
- VOINNISYNUPRQX-UHFFFAOYSA-N
- Inchi
- InChI=1S/C54H108O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-56-54(55)52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-53H2,1-2H3
- Isomeric Smiles
- CCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCC
- 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
Heptacosyl Heptacosanate
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Heptacosyl heptacosanate
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Heptacosyl heptacosanate
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Heptacosyl heptacosanate
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
heptacosyl heptacosanate
Role
preferred
Source
TCMBank
Preferred
Yes
Name
heptacosylheptacosanate
Role
alias
Source
TCMBank
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.
heptacosylheptacosanate虫白蜡CHONG BAI LACera Chinensis Wax
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN029064
Npass
NPC249744
Tcmid
310759371
Sym Map
SMIT24388
Pub Chem
5318008
Tcmbank
TCMBANKIN003599TCMBANKIN056067
Etcm Ingredient
Heptacosyl heptacosanate
Itcmdb Generated
ITX-INGREDIENT-19664B13C76DITX-INGREDIENT-796B7DF4B436ITX-INGREDIENT-3B1FE675DE17
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C54H108O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-56-54(55)52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-53H2,1-2H3
Mol Wt
789.4559999999992
Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCC
Mol Log P
20.07439999999999
Version
v2
In Ch Ikey
VOINNISYNUPRQX-UHFFFAOYSA-N
Suppress
0
Tcm Name
虫白蜡
Tcm Name2
CHONG BAI LA
Mol2 Path
/TCM_database/2003_3d_all/3775.mol2
Reference
6
Num Hdonors
0
Tcm Name En
Cera Chinensis Wax
Drug Likeness
0.045
Num Hacceptors
2
Isomeric Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCC
Canonical Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCC
Molecular Weight
788.830
Molecular Formula
C54H108O2
Molecular Formula
C54H108O2
Molecular Formula
C54H108O2
Num Rotatable Bonds
51
Fda Maximum Daily Dose (Fdamdd)
0.026
Quantitative Estimate Of Drug Likeness（Qed）
0.045