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
- 17938
- Core Entity Id
- 23113
- Source Entity Count
- 1
- Preferred Name
- Eicosane,10-methyl
- Name En
- Pubchem Id
- 41208
- Smiles Canonical
- CCCCCCCCCCC(C)CCCCCCCCC
- Molecular Formula
- C21H44
- Molecular Weight
- 296.5830
- Inchikey
- BFAGLVWBOUDHBS-UHFFFAOYSA-N
- Inchi
- InChI=1S/C21H44/c1-4-6-8-10-12-14-16-18-20-21(3)19-17-15-13-11-9-7-5-2/h21H,4-20H2,1-3H3
- Isomeric Smiles
- CCCCCCCCCCC(C)CCCCCCCCC
- Cas Id
- Ob Score
- Mol Logp
- 8.2940
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 17
- Drug Likeness
- 0.2370
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Eicosane, 10-methyl
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Eicosane,10-methyl
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Eicosane,10-methyl
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
10-METHYLEICOSANE
Role
alias
Source
HERB_v2
Preferred
No
Name
10-METHYLEICOSANE
Role
alias
Source
itcmdb_public
Preferred
No
Name
10-Methylicosane
Role
alias
Source
itcmdb_public
Preferred
No
Name
10-Methylicosane
Role
alias
Source
HERB_v2
Preferred
No
Name
54833-23-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
54833-23-7
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID60873257
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID60873257
Role
alias
Source
HERB_v2
Preferred
No
Name
Eicosane, 10-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Eicosane, 10-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Eicosane, 10-methyl10-METHYLEICOSANE10-Methylicosane54833-23-7DTXSID60873257Eicosane, 10-methyl-
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN024937
Npass
NPC203381
Tcmid
40603
Pub Chem
41208
Tcmbank
TCMBANKIN003693
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C21H44/c1-4-6-8-10-12-14-16-18-20-21(3)19-17-15-13-11-9-7-5-2/h21H,4-20H2,1-3H3
Mol Wt
296.583
Smiles
CCCCCCCCCCC(C)CCCCCCCCC
Mol Log P
8.294000000000006
In Ch Ikey
BFAGLVWBOUDHBS-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.237
Num Hacceptors
0
Isomeric Smiles
CCCCCCCCCCC(C)CCCCCCCCC
Canonical Smiles
CCCCCCCCCCC(C)CCCCCCCCC
Herb Alias Names
10-MethylicosaneEicosane, 10-methyl-10-METHYLEICOSANE54833-23-710-Methylicosane #DTXSID60873257
Molecular Weight
296.6 g/mol
Molecular Formula
C21H44
Molecular Formula
C21H44
Num Rotatable Bonds
17