Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Ingredient: 1Target: 4Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 28137
- Core Entity Id
- 34461
- Source Entity Count
- 1
- Preferred Name
- Oct-1-en-2-ol
- Name En
- Pubchem Id
- 15372159
- Smiles Canonical
- CCCCCCC(=C)O
- Molecular Formula
- C8H16O
- Molecular Weight
- 128.2150
- Inchikey
- LNGYMCOWZUPVOA-UHFFFAOYSA-N
- Inchi
- InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h9H,2-7H2,1H3
- Isomeric Smiles
- CCCCCCC(=C)O
- Cas Id
- 142382-43-2
- Ob Score
- 23.1670
- Mol Logp
- 3.0285
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.4450
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Oct-1-En-2-Ol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Oct-1-En-2-Ol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Oct-1-en-2-ol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Oct-1-en-2-ol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
oct-1-en-2-ol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
oct-1-en-2-ol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
1-OCTEN-2-OL
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-OCTEN-2-OL
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Octen-2-ol (9CI)
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Octen-2-ol (9CI)
Role
alias
Source
itcmdb_public
Preferred
No
Name
142382-43-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
142382-43-2
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID90572105
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID90572105
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL49642
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL49642
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-OCTEN-2-OL1-Octen-2-ol (9CI)142382-43-2DTXSID90572105SCHEMBL49642
Cross References
Trusted external identifiers retained for this final record.
Cas
142382-43-2
Herb
HBIN037716
Tcmsp
MOL012455
Sym Map
SMIT13204
Pub Chem
15372159
Tcmbank
TCMBANKIN025074
Etcm Ingredient
oct-1-en-2-ol
Itcmdb Generated
ITX-INGREDIENT-A41A66E6E6FD
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h9H,2-7H2,1H3
Mol Wt
128.215
Cas Id
142382-43-2
Smiles
CCCCCCC(=C)O
Mol Log P
3.028500000000001
Version
v1,v2
In Ch Ikey
LNGYMCOWZUPVOA-UHFFFAOYSA-N
Ob Score
23.16723.1670107423.167011
Suppress
0
Num Hdonors
1
Drug Likeness
0.445
Num Hacceptors
1
Isomeric Smiles
CCCCCCC(=C)O
Molecule Weight
128.24
Canonical Smiles
CCCCCCC(=C)O
Herb Alias Names
1-Octen-2-ol (9CI)142382-43-21-OCTEN-2-OLSCHEMBL49642DTXSID90572105
Molecular Weight
128.120
Molecular Weight
128.21
Molecular Formula
C8H16O
Molecular Formula
C8H16O
Molecular Formula
C8H16O
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.034
Quantitative Estimate Of Drug Likeness（Qed）
0.520