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
- 28264
- Core Entity Id
- 34601
- Source Entity Count
- 1
- Preferred Name
- Octenol
- Name En
- Pubchem Id
- 6443047
- Smiles Canonical
- CCCCCCC=CO
- Molecular Formula
- C8H16O
- Molecular Weight
- 128.2150
- Inchikey
- MDVPRIBCAFEROC-BQYQJAHWSA-N
- Inchi
- InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h7-9H,2-6H2,1H3/b8-7+
- Isomeric Smiles
- CCCCCC/C=C/O
- Cas Id
- Ob Score
- 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
Octenol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Octenol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Octenol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Octenol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
octenol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(E)-oct-1-en-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(E)-oct-1-en-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
60621-20-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
60621-20-7
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL29312
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL29312
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(E)-oct-1-en-1-ol60621-20-7SCHEMBL29312
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN037804
Tcmid
33266
Sym Map
SMIT25791
Pub Chem
6443047
Tcmbank
TCMBANKIN019022
Itcmdb Generated
ITX-INGREDIENT-D67A6CFC2B82
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h7-9H,2-6H2,1H3/b8-7+
Mol Wt
128.215
Smiles
CCCCCCC=CO
Mol Log P
3.028500000000001
Version
v2
In Ch Ikey
MDVPRIBCAFEROC-BQYQJAHWSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.445
Num Hacceptors
1
Isomeric Smiles
CCCCCC/C=C/O
Canonical Smiles
CCCCCCC=CO
Herb Alias Names
(E)-oct-1-en-1-ol60621-20-7SCHEMBL29312
Molecular Weight
128.21 g/mol
Molecular Formula
C8H16O
Molecular Formula
C8H16O
Num Rotatable Bonds
5