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
- 8864
- Core Entity Id
- 13020
- Source Entity Count
- 1
- Preferred Name
- 8-hexadecanol
- Name En
- Pubchem Id
- 549906
- Smiles Canonical
- CCCCCCCCC(CCCCCCC)O
- Molecular Formula
- C16H34O
- Molecular Weight
- 242.4470
- Inchikey
- OLVNUMHZZANJCG-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H34O/c1-3-5-7-9-11-13-15-16(17)14-12-10-8-6-4-2/h16-17H,3-15H2,1-2H3
- Isomeric Smiles
- CCCCCCCCC(CCCCCCC)O
- Cas Id
- 19781-83-0
- Ob Score
- 14.6717
- Mol Logp
- 5.4584
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 13
- Drug Likeness
- 0.4250
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
8-Hexadecanol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
8-Hexadecanol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
8-Hexadecanol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
8-Hexadecanol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
8-hexadecanol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
8-hexadecanol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
19781-83-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
19781-83-0
Role
alias
Source
HERB_v2
Preferred
No
Name
9-hexadecanol
Role
alias
Source
HERB_v2
Preferred
No
Name
9-hexadecanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
9-hydroxyhexadecan
Role
alias
Source
HERB_v2
Preferred
No
Name
9-hydroxyhexadecan
Role
alias
Source
itcmdb_public
Preferred
No
Name
9-hydroxyhexadecane
Role
alias
Source
HERB_v2
Preferred
No
Name
9-hydroxyhexadecane
Role
alias
Source
itcmdb_public
Preferred
No
Name
ACMC-20alwf
Role
alias
Source
HERB_v2
Preferred
No
Name
ACMC-20alwf
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID90338561
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID90338561
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL378871
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL378871
Role
alias
Source
itcmdb_public
Preferred
No
Name
hexadecan-8-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
hexadecan-8-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
n-Heptyl n-octyl carbinol
Role
alias
Source
HERB_v2
Preferred
No
Name
n-Heptyl n-octyl carbinol
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
19781-83-09-hexadecanol9-hydroxyhexadecan9-hydroxyhexadecaneACMC-20alwfDTXSID90338561SCHEMBL378871hexadecan-8-oln-Heptyl n-octyl carbinol
Cross References
Trusted external identifiers retained for this final record.
Cas
19781-83-0
Herb
HBIN013750
Tcmsp
MOL003472
Sym Map
SMIT05535
Pub Chem
549906
Tcmbank
TCMBANKIN036537
Etcm Ingredient
8-Hexadecanol
Itcmdb Generated
ITX-INGREDIENT-37180C8695B0
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H34O/c1-3-5-7-9-11-13-15-16(17)14-12-10-8-6-4-2/h16-17H,3-15H2,1-2H3
Mol Wt
242.4469999999999
Cas Id
19781-83-0
Smiles
CCCCCCCCC(CCCCCCC)O
Mol Log P
5.458400000000006
Version
v1,v2
In Ch Ikey
OLVNUMHZZANJCG-UHFFFAOYSA-N
Ob Score
14.67168514.671685214.672
Suppress
0
Num Hdonors
1
Drug Likeness
0.425
Num Hacceptors
1
Isomeric Smiles
CCCCCCCCC(CCCCCCC)O
Molecule Weight
242.5
Canonical Smiles
CCCCCCCCC(CCCCCCC)O
Herb Alias Names
19781-83-0hexadecan-8-ol9-hydroxyhexadecann-Heptyl n-octyl carbinolACMC-20alwf9-hexadecanol9-hydroxyhexadecaneSCHEMBL378871DTXSID90338561
Molecular Weight
242.260
Molecular Weight
242.44
Molecular Formula
C16H34O
Molecular Formula
C16H34O
Molecular Formula
C16H34O
Num Rotatable Bonds
13
Fda Maximum Daily Dose (Fdamdd)
0.044
Quantitative Estimate Of Drug Likeness（Qed）
0.425