Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 38623
- Core Entity Id
- 66404
- Source Entity Count
- 1
- Preferred Name
- 14-octacosanol
- Name En
- Pubchem Id
- 5320252
- Smiles Canonical
- CCCCCCCCCCCCCCC(CCCCCCCCCCCCC)O
- Molecular Formula
- C28H58O
- Molecular Weight
- 410.7710
- Inchikey
- JBKPMCOKLJUDQU-UHFFFAOYSA-N
- Inchi
- InChI=1S/C28H58O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28(29)26-24-22-20-18-16-14-12-10-8-6-4-2/h28-29H,3-27H2,1-2H3
- Isomeric Smiles
- CCCCCCCCCCCCCCC(CCCCCCCCCCCCC)O
- Cas Id
- Ob Score
- 11.4829
- Mol Logp
- 10.1396
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 25
- Drug Likeness
- 0.1480
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
14-Octacosanol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
14-Octacosanol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
14-Octacosanol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
14-octacosanol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
14-octacosanol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1-myristylmyristyl alcohol
Role
alias
Source
TCMBank
Preferred
No
Name
1-myristylmyristyl alcohol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-myristylmyristyl alcohol
Role
alias
Source
HERB_v2
Preferred
No
Name
138967-02-9
Role
alias
Source
HERB_v2
Preferred
No
Name
138967-02-9
Role
alias
Source
TCMBank
Preferred
No
Name
138967-02-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
14-octacosanol
Role
alias
Source
TCMBank
Preferred
No
Name
AC1NSZ94
Role
alias
Source
TCMBank
Preferred
No
Name
ACMC-20myco
Role
alias
Source
TCMBank
Preferred
No
Name
CTK0B7477
Role
alias
Source
TCMBank
Preferred
No
Name
DTXCID90366627
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXCID90366627
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID20415778
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID20415778
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID20415778
Role
alias
Source
itcmdb_public
Preferred
No
Name
JBKPMCOKLJUDQU-UHFFFAOYSA-N
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL2146126
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL2146126
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL2146126
Role
alias
Source
itcmdb_public
Preferred
No
Name
octacosan-14-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
octacosan-14-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
octacosan-14-ol
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-myristylmyristyl alcohol138967-02-9AC1NSZ94ACMC-20mycoCTK0B7477DTXCID90366627DTXSID20415778JBKPMCOKLJUDQU-UHFFFAOYSA-NSCHEMBL2146126octacosan-14-ol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN001539
Npass
NPC101488
Tcmid
15924
Tcmsp
MOL011040
Sym Map
SMIT11997SMIT16962
Pub Chem
5320252
Tcmbank
TCMBANKIN030490
Etcm Ingredient
14-Octacosanol
Itcmdb Generated
ITX-INGREDIENT-9A6DD71F98D2
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C28H58O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28(29)26-24-22-20-18-16-14-12-10-8-6-4-2/h28-29H,3-27H2,1-2H3
Mol Wt
410.7710000000003
Smiles
CCCCCCCCCCCCCCC(CCCCCCCCCCCCC)O
Mol Log P
10.13959999999999
Version
v1,v2
In Ch Ikey
JBKPMCOKLJUDQU-UHFFFAOYSA-N
Ob Score
11.48285811.4828581511.483
Suppress
1
Num Hdonors
1
Drug Likeness
0.148
Num Hacceptors
1
Isomeric Smiles
CCCCCCCCCCCCCCC(CCCCCCCCCCCCC)O
Molecule Weight
410.86
Canonical Smiles
CCCCCCCCCCCCCCC(CCCCCCCCCCCCC)O
Herb Alias Names
1-myristylmyristyl alcohol138967-02-9DTXSID20415778octacosan-14-olSCHEMBL2146126DTXCID90366627
Molecular Weight
116.120
Molecular Weight
410.8 g/mol
Molecular Formula
C7H16O
Molecular Formula
C28H58O
Molecular Formula
C28H58O
Num Rotatable Bonds
25
Link Ingredient Id
11997.0
Fda Maximum Daily Dose (Fdamdd)
0.014
Quantitative Estimate Of Drug Likeness（Qed）
0.595