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
- 28194
- Core Entity Id
- 34523
- Source Entity Count
- 1
- Preferred Name
- Octacosanal
- Name En
- Pubchem Id
- 3084376
- Smiles Canonical
- CCCCCCCCCCCCCCCCCCCCCCCCCCCC=O
- Molecular Formula
- C28H56O
- Molecular Weight
- 408.7550
- Inchikey
- LVXORIXZNUNHGQ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C28H56O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29/h28H,2-27H2,1H3
- Isomeric Smiles
- CCCCCCCCCCCCCCCCCCCCCCCCCCCC=O
- Cas Id
- 22725-64-0
- Ob Score
- 12.1890
- Mol Logp
- 10.3478
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 26
- Drug Likeness
- 0.1030
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Octacosanal
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Octacosanal
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Octacosanal
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Octacosanal
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
octacosanal
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
octacosanal
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-octacosanal
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-octacosanal
Role
alias
Source
HERB_v2
Preferred
No
Name
22725-64-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
22725-64-0
Role
alias
Source
HERB_v2
Preferred
No
Name
22725-64-0
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:78441
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:78441
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMFA06000108
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-Z6QY5V3APV
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-Z6QY5V3APV
Role
alias
Source
HERB_v2
Preferred
No
Name
Z6QY5V3APV
Role
alias
Source
HERB_v2
Preferred
No
Name
Z6QY5V3APV
Role
alias
Source
itcmdb_public
Preferred
No
Name
montanaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
montanaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
montanaldehyde
Role
alias
Source
TCMBank
Preferred
No
Name
montanic aldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
montanic aldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
n-octacosan-1-al
Role
alias
Source
itcmdb_public
Preferred
No
Name
n-octacosan-1-al
Role
alias
Source
HERB_v2
Preferred
No
Name
n-octacosanal
Role
alias
Source
HERB_v2
Preferred
No
Name
n-octacosanal
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-octacosanal22725-64-0CHEBI:78441LMFA06000108UNII-Z6QY5V3APVZ6QY5V3APVmontanaldehydemontanic aldehyden-octacosan-1-aln-octacosanal
Cross References
Trusted external identifiers retained for this final record.
Cas
22725-64-0
Herb
HBIN037719
Npass
NPC185230
Tcmsp
MOL013120
Sym Map
SMIT13815
Pub Chem
3084376
Tcmbank
TCMBANKIN029117
Etcm Ingredient
octacosanal
Itcmdb Generated
ITX-INGREDIENT-BF1495BAE8A8
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C28H56O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29/h28H,2-27H2,1H3
Mol Wt
408.7550000000003
Cas Id
22725-64-0
Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCCC=O
Mol Log P
10.34779999999999
Version
v1,v2
In Ch Ikey
LVXORIXZNUNHGQ-UHFFFAOYSA-N
Ob Score
12.18912.1893346412.189335
Suppress
0
Num Hdonors
0
Drug Likeness
0.103
Num Hacceptors
1
Isomeric Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCCC=O
Molecule Weight
408.84
Canonical Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCCC=O
Herb Alias Names
n-octacosanal22725-64-0montanic aldehydeZ6QY5V3APVmontanaldehyde1-octacosanaln-octacosan-1-alUNII-Z6QY5V3APVCHEBI:78441
Molecular Weight
408.430
Molecular Weight
408.74
Molecular Formula
C28H56O
Molecular Formula
C28H56O
Molecular Formula
C28H56O
Num Rotatable Bonds
26
Fda Maximum Daily Dose (Fdamdd)
0.049
Quantitative Estimate Of Drug Likeness（Qed）
0.103