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
- 39784
- Core Entity Id
- 76493
- Source Entity Count
- 1
- Preferred Name
- 1-pentacosanol
- Name En
- Pubchem Id
- 92247
- Smiles Canonical
- CCCCCCCCCCCCCCCCCCCCCCCCCO
- Molecular Formula
- C25H52O
- Molecular Weight
- 368.6900
- Inchikey
- IACKKVBKKNJZGN-UHFFFAOYSA-N
- Inchi
- InChI=1S/C25H52O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26/h26H,2-25H2,1H3
- Isomeric Smiles
- CCCCCCCCCCCCCCCCCCCCCCCCCO
- Cas Id
- 26040-98-2
- Ob Score
- 11.1200
- Mol Logp
- 8.9709
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 23
- Drug Likeness
- 0.1780
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1-Pentacosanol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
1-Pentacosanol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
1-pentacosanol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1-pentacosanol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
26040-98-2
Role
alias
Source
HERB_v2
Preferred
No
Name
26040-98-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:78427
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:78427
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID90948922
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID90948922
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 247-427-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 247-427-0
Role
alias
Source
HERB_v2
Preferred
No
Name
NA66I0JFTI
Role
alias
Source
HERB_v2
Preferred
No
Name
NA66I0JFTI
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pentacosyl alcohol
Role
alias
Source
HERB_v2
Preferred
No
Name
Pentacosyl alcohol
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-NA66I0JFTI
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-NA66I0JFTI
Role
alias
Source
itcmdb_public
Preferred
No
Name
n-pentacosanol
Role
alias
Source
HERB_v2
Preferred
No
Name
n-pentacosanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
pentacosan-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
pentacosan-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pentacosanol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
pentacosanol
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
26040-98-2CHEBI:78427DTXSID90948922EINECS 247-427-0NA66I0JFTIPentacosyl alcoholUNII-NA66I0JFTIn-pentacosanolpentacosan-1-olPentacosanol
Cross References
Trusted external identifiers retained for this final record.
Cas
26040-98-2
Herb
HBIN002953HBIN039128
Npass
NPC63172
Tcmid
33745
Tcmsp
MOL007513
Sym Map
SMIT08928SMIT26044
Pub Chem
92247
Tcmbank
TCMBANKIN061157
Etcm Ingredient
1-Pentacosanol
Itcmdb Generated
ITX-INGREDIENT-1C63EFFE22A3ITX-INGREDIENT-C7E699AFC415
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C25H52O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26/h26H,2-25H2,1H3
Mol Wt
368.6900000000002
Cas Id
26040-98-2
Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCO
Mol Log P
8.9709
Version
v1,v2
In Ch Ikey
IACKKVBKKNJZGN-UHFFFAOYSA-N
Ob Score
11.1211.12013347
Suppress
0
Num Hdonors
1
Drug Likeness
0.178
Num Hacceptors
1
Isomeric Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCO
Molecule Weight
368.77
Canonical Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCO
Herb Alias Names
pentacosan-1-olPentacosyl alcohol26040-98-2n-pentacosanolUNII-NA66I0JFTINA66I0JFTIEINECS 247-427-0CHEBI:78427DTXSID90948922
Molecular Weight
368.400
Molecular Weight
368.7 g/mol
Molecular Formula
C25H52O
Molecular Formula
C25H52O
Molecular Formula
C25H52O
Num Rotatable Bonds
23
Fda Maximum Daily Dose (Fdamdd)
0.017
Quantitative Estimate Of Drug Likeness（Qed）
0.178