Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Target: 12Links: 24
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 28048
- Core Entity Id
- 34362
- Source Entity Count
- 1
- Preferred Name
- Tetracosane
- Name En
- Pubchem Id
- 12592
- Smiles Canonical
- C([H])([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([ H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
- Molecular Formula
- C24H50
- Molecular Weight
- 338.6640
- Inchikey
- POOSGDOYLQNASK-UHFFFAOYSA-N
- Inchi
- InChI=1S/C24H50/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
- Isomeric Smiles
- CCCCCCCCCCCCCCCCCCCCCCCC
- Cas Id
- 646-31-1
- Ob Score
- 8.2840
- Mol Logp
- 9.6084
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 21
- Drug Likeness
- 0.1830
- Polar Surface Area
- 0.0000
- Molecular Volume
- 289.0000
- Alogp
- 11.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
N Tetracosane
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
N Tetracosane
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
N-tetracosane
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
N-tetracosane
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
N-tetracosane
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Tetracosane
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Tetracosane
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Tetracosane
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Tetracosane
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
n-tetracosane
Role
preferred
Source
TCMBank
Preferred
Yes
Name
白前
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Cynanchum stauntonii
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Cynanchum stauntonii
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
646-31-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
646-31-1
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 211-474-5
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 211-474-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
Lignocerane
Role
alias
Source
itcmdb_public
Preferred
No
Name
Lignocerane
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00009352
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00009352
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC 2984
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC-2984
Role
alias
Source
itcmdb_public
Preferred
No
Name
TETRACOSANE
Role
alias
Source
itcmdb_public
Preferred
No
Name
TETRACOSANE
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-YQ5H1M1D7I
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-YQ5H1M1D7I
Role
alias
Source
itcmdb_public
Preferred
No
Name
YQ5H1M1D7I
Role
alias
Source
itcmdb_public
Preferred
No
Name
YQ5H1M1D7I
Role
alias
Source
HERB_v2
Preferred
No
Name
n-Tetracosane
Role
alias
Source
itcmdb_public
Preferred
No
Name
n-Tetracosane
Role
alias
Source
HERB_v2
Preferred
No
Name
9.化痰止咳平喘药(34-34)
Role
level1_name
Source
TCMBank
Preferred
No
Name
cough-suppressing and panting-calming medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
1.温化寒痰药(8-8)
Role
level2_name
Source
TCMBank
Preferred
No
Name
cold-phlegm resolving and warming medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
N TetracosaneN-tetracosane白前Cynanchum stauntonii646-31-1EINECS 211-474-5LignoceraneMFCD00009352NSC 2984NSC-2984UNII-YQ5H1M1D7IYQ5H1M1D7I9.化痰止咳平喘药(34-34)cough-suppressing and panting-calming medicinal1.温化寒痰药(8-8)cold-phlegm resolving and warming medicinal
Cross References
Trusted external identifiers retained for this final record.
Cas
646-31-1
Herb
HBIN037522HBIN046019
Npass
NPC229253NPC90566
Tcmid
248522511936123
Tcmsp
MOL001747
Sym Map
SMIT02424SMIT04114SMIT18708SMIT25565
Tcm Id
2199
Pub Chem
12592
Tcmbank
TCMBANKIN004393TCMBANKIN061127
Etcm Ingredient
N-tetracosane
Itcmdb Generated
ITX-INGREDIENT-1A84F25F3192ITX-INGREDIENT-2BAAE206574EITX-INGREDIENT-BF9A37C4357AITX-INGREDIENT-DAD429798E93
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Alog P
11
In Ch I
InChI=1S/C24H50/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
Mol Wt
338.6640000000001
Cas Id
646-31-1
Smiles
C([H])([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([
H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]CCCCCCCCCCCCCCCCCCCCCCCC
37 Flag
37
C Count
24
Mol Log P
9.608399999999998
N Count
0
O Count
0
P Count
0
S Count
0
Version
v1,v2v2
In Ch Ikey
POOSGDOYLQNASK-UHFFFAOYSA-N
Ob Score
8.2848.2840745788.284075
Suppress
01
Tcm Name
白前
Tcm Name2
Cynanchum stauntonii
Mol2 Path
/TCM_database/9.化痰止咳平喘药(34-34)/1.温化寒痰药(8-8)/白前/Cynanchum stauntonii/structure/Tetracosane.mol2
Num Hdonors
0
Tcm Name En
Cynanchum stauntonii
Level1 Name
9.化痰止咳平喘药(34-34)
Level2 Name
1.温化寒痰药(8-8)
Num H Donors
0
Drug Likeness
0.183
Num Hacceptors
0
Level1 Name En
cough-suppressing and panting-calming medicinal
Level2 Name En
cold-phlegm resolving and warming medicinal
Isomeric Smiles
CCCCCCCCCCCCCCCCCCCCCCCC
Molecule Weight
338.659338.74
Num H Acceptors
0
Canonical Smiles
CCCCCCCCCCCCCCCCCCCCCCCC
Herb Alias Names
TETRACOSANE646-31-1LignoceraneUNII-YQ5H1M1D7IYQ5H1M1D7INSC 2984NSC-2984EINECS 211-474-5MFCD00009352
Molecular Weight
338.390
Molecular Volume
289
Molecular Weight
338.65339
Molecule Formula
C24H50
Molecular Formula
C24H50
Molecular Formula
C24H50
Molecular Formula
C24H50
Num Rotatable Bonds
21
Link Ingredient Id
4114.0
Num Rotatable Bonds
21
Molecular Polar Surface Area
0
Fda Maximum Daily Dose (Fdamdd)
0.040
Quantitative Estimate Of Drug Likeness（Qed）
0.183