Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 10Ingredient: 1Links: 10
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 17568
- Core Entity Id
- 22698
- Source Entity Count
- 1
- Preferred Name
- Dotriacontanol
- Name En
- Pubchem Id
- 96117
- Smiles Canonical
- CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
- Molecular Formula
- C32H66O
- Molecular Weight
- 466.8790
- Inchikey
- QOEHNLSDMADWEF-UHFFFAOYSA-N
- Inchi
- InChI=1S/C32H66O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33/h33H,2-32H2,1H3
- Isomeric Smiles
- CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
- Cas Id
- 6624-79-9
- Ob Score
- 10.2450
- Mol Logp
- 11.7016
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 30
- Drug Likeness
- 0.1040
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Dotriacontanol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Dotriacontanol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Dotriacontanol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Dotriacontanol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1-Dotriacontanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Dotriacontanol
Role
alias
Source
HERB_v2
Preferred
No
Name
6624-79-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
6624-79-9
Role
alias
Source
HERB_v2
Preferred
No
Name
82J5YYF71H
Role
alias
Source
itcmdb_public
Preferred
No
Name
82J5YYF71H
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:77414
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:77414
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID10873227
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID10873227
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC-53834
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC-53834
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-82J5YYF71H
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-82J5YYF71H
Role
alias
Source
itcmdb_public
Preferred
No
Name
dotriacontan-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
dotriacontan-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
n-Dotriacontanol
Role
alias
Source
HERB_v2
Preferred
No
Name
n-Dotriacontanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-dotriacontanol
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
1-Dotriacontanol6624-79-982J5YYF71HCHEBI:77414DTXSID10873227NSC-53834UNII-82J5YYF71Hdotriacontan-1-oln-Dotriacontanol
Cross References
Trusted external identifiers retained for this final record.
Cas
6624-79-9
Herb
HBIN024444HBIN002498HBIN024445
Tcmid
33773
Tcmsp
MOL000767
Sym Map
SMIT03296
Tcm Id
199729212
Pub Chem
96117
Tcmbank
TCMBANKIN061149
Etcm Ingredient
Dotriacontanol
Itcmdb Generated
ITX-INGREDIENT-91CB41966E90
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C32H66O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33/h33H,2-32H2,1H3
Mol Wt
466.8790000000005
Cas Id
6624-79-9
Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
Mol Log P
11.70159999999998
Version
v1,v2
In Ch Ikey
QOEHNLSDMADWEF-UHFFFAOYSA-N
Ob Score
10.24510.2451896
Suppress
0
Num Hdonors
1
Drug Likeness
0.104
Num Hacceptors
1
Isomeric Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
Molecule Weight
466.98
Canonical Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
Herb Alias Names
1-Dotriacontanol6624-79-9dotriacontan-1-oln-DotriacontanolUNII-82J5YYF71H82J5YYF71HNSC-53834CHEBI:77414DTXSID10873227
Molecular Weight
466.510
Molecular Weight
466.9 g/mol
Molecular Formula
C32H66O
Molecular Formula
C32H66O
Molecular Formula
C32H66O
Num Rotatable Bonds
30
Fda Maximum Daily Dose (Fdamdd)
0.022
Quantitative Estimate Of Drug Likeness（Qed）
0.104