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
- 21246
- Core Entity Id
- 26802
- Source Entity Count
- 1
- Preferred Name
- Heptacosyl melissate
- Name En
- Pubchem Id
- 5318009
- Smiles Canonical
- CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCC
- Molecular Formula
- C57H114O2
- Molecular Weight
- 831.5370
- Inchikey
- CWFXRYLMNPSJEU-UHFFFAOYSA-N
- Inchi
- InChI=1S/C57H114O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-31-33-35-37-39-41-43-45-47-49-51-53-55-57(58)59-56-54-52-50-48-46-44-42-40-38-36-34-32-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-56H2,1-2H3
- Isomeric Smiles
- CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCC
- Cas Id
- Ob Score
- Mol Logp
- 21.2447
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 54
- Drug Likeness
- 0.0450
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Heptacosyl Melissate
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Heptacosyl melissate
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Heptacosyl melissate
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
heptacosyl melissate
Role
preferred
Source
TCMBank
Preferred
Yes
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.
虫白蜡CHONG BAI LACera Chinensis Wax
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN029065
Npass
NPC115644
Tcmid
9372
Sym Map
SMIT24389
Pub Chem
5318009
Tcmbank
TCMBANKIN035223TCMBANKIN052847
Itcmdb Generated
ITX-INGREDIENT-D1B4BD7F271DITX-INGREDIENT-B9ACEA72D738
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C57H114O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-31-33-35-37-39-41-43-45-47-49-51-53-55-57(58)59-56-54-52-50-48-46-44-42-40-38-36-34-32-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-56H2,1-2H3
Mol Wt
831.536999999999
Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCC
Mol Log P
21.2447
Version
v2
In Ch Ikey
CWFXRYLMNPSJEU-UHFFFAOYSA-N
Suppress
0
Tcm Name
虫白蜡
Tcm Name2
CHONG BAI LA
Mol2 Path
/TCM_database/2003_3d_all/3776.mol2
Reference
6
Num Hdonors
0
Tcm Name En
Cera Chinensis Wax
Drug Likeness
0.045
Num Hacceptors
2
Isomeric Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCC
Canonical Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCC
Molecular Formula
C57H114O2
Molecular Formula
C57H114O2
Num Rotatable Bonds
54