Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 27551
- Core Entity Id
- 33807
- Source Entity Count
- 1
- Preferred Name
- N-hexacosanol
- Name En
- Pubchem Id
- 68171
- Smiles Canonical
- CCCCCCCCCCCCCCCCCCCCCCCCCCO
- Molecular Formula
- C26H54O
- Molecular Weight
- 382.7170
- Inchikey
- IRHTZOCLLONTOC-UHFFFAOYSA-N
- Inchi
- InChI=1S/C26H54O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27/h27H,2-26H2,1H3
- Isomeric Smiles
- CCCCCCCCCCCCCCCCCCCCCCCCCCO
- Cas Id
- 506-52-5
- Ob Score
- 10.9549
- Mol Logp
- 9.3610
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 24
- Drug Likeness
- 0.1650
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
N-Hexacosanol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
N-hexacosanol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
N-hexacosanol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
n-Hexacosanol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-Hexacosanol
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Hexacosanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
506-52-5
Role
alias
Source
HERB_v2
Preferred
No
Name
506-52-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
CERYL ALCOHOL
Role
alias
Source
HERB_v2
Preferred
No
Name
CERYL ALCOHOL
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cerylic alcohol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cerylic alcohol
Role
alias
Source
HERB_v2
Preferred
No
Name
Hexacosan-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hexacosan-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
Hexacosanol
Role
alias
Source
HERB_v2
Preferred
No
Name
Hexacosanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hexacosyl alcohol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hexacosyl alcohol
Role
alias
Source
HERB_v2
Preferred
No
Name
M7SD300NNB
Role
alias
Source
HERB_v2
Preferred
No
Name
M7SD300NNB
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-M7SD300NNB
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-M7SD300NNB
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ceryl Alcohol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Ceryl alcohol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
白果; 箭叶淫羊藿
Role
TCM_name
Source
TCMBank
Preferred
No
Name
BAI GUO; JIAN YE YIN YANG HUO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Ginkgo Nut; Sagittate Epimedium
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-Hexacosanol506-52-5CERYL ALCOHOLCerylic alcoholHexacosan-1-olHexacosanolHexacosyl alcoholM7SD300NNBUNII-M7SD300NNB白果; 箭叶淫羊藿BAI GUO; JIAN YE YIN YANG HUOGinkgo Nut; Sagittate Epimedium
Cross References
Trusted external identifiers retained for this final record.
Cas
506-52-5
Herb
HBIN020163HBIN029245HBIN036877
Npass
NPC299856
Tcmid
23339343535901
Tcmsp
MOL000766
Sym Map
SMIT03295SMIT14622SMIT18339
Pub Chem
68171
Tcmbank
TCMBANKIN061155TCMBANKIN055391
Itcmdb Generated
ITX-INGREDIENT-40FA48024493
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C26H54O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27/h27H,2-26H2,1H3
Mol Wt
382.7170000000002
Cas Id
506-52-5
Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCO
Mol Log P
9.360999999999999
Version
v1,v2
In Ch Ikey
IRHTZOCLLONTOC-UHFFFAOYSA-N
Ob Score
10.9549399210.9549410.955
Suppress
0
Tcm Name
白果; 箭叶淫羊藿
Tcm Name2
BAI GUO; JIAN YE YIN YANG HUO
Mol2 Path
/TCM_database/2003_3d_all/1309.mol2
Reference
2, 660
Num Hdonors
1
Tcm Name En
Ginkgo Nut; Sagittate Epimedium
Drug Likeness
0.165
Num Hacceptors
1
Isomeric Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCO
Molecule Weight
382.8
Canonical Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCO
Herb Alias Names
1-Hexacosanol506-52-5Hexacosan-1-olCERYL ALCOHOLHexacosyl alcoholHexacosanolCerylic alcoholUNII-M7SD300NNBM7SD300NNB
Molecular Weight
382.7 g/mol
Molecule Formula
C26H54O
Molecular Formula
C26H54O
Molecular Formula
C26H54O
Num Rotatable Bonds
24