Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2362
- Core Entity Id
- 5813
- Source Entity Count
- 1
- Preferred Name
- 2-octanol
- Name En
- Pubchem Id
- 20083
- Smiles Canonical
- CCCCCCC(C)O
- Molecular Formula
- C8H18O
- Molecular Weight
- 130.2310
- Inchikey
- SJWFXCIHNDVPSH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3
- Isomeric Smiles
- CCCCCCC(C)O
- Cas Id
- Ob Score
- Mol Logp
- 2.3376
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.5660
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-Octanol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-octanol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-octanol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1-Methylheptanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Methylheptanol
Role
alias
Source
HERB_v2
Preferred
No
Name
123-96-6
Role
alias
Source
HERB_v2
Preferred
No
Name
123-96-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Hydroxyoctane
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Hydroxyoctane
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Octyl alcohol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Octyl alcohol
Role
alias
Source
HERB_v2
Preferred
No
Name
4128-31-8
Role
alias
Source
HERB_v2
Preferred
No
Name
4128-31-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
DL-2-Octanol
Role
alias
Source
HERB_v2
Preferred
No
Name
DL-2-Octanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hexylmethylcarbinol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hexylmethylcarbinol
Role
alias
Source
HERB_v2
Preferred
No
Name
Octan-2-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
Octan-2-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
sec-Caprylic alcohol
Role
alias
Source
HERB_v2
Preferred
No
Name
sec-Caprylic alcohol
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-Methylheptanol123-96-62-Hydroxyoctane2-Octyl alcohol4128-31-8DL-2-OctanolHexylmethylcarbinolOctan-2-olsec-Caprylic alcohol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN006219
Npass
NPC72324
Tcmid
32827
Pub Chem
20083
Tcmbank
TCMBANKIN022184
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3
Mol Wt
130.231
Smiles
CCCCCCC(C)O
Mol Log P
2.337600000000001
In Ch Ikey
SJWFXCIHNDVPSH-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.566
Num Hacceptors
1
Isomeric Smiles
CCCCCCC(C)O
Canonical Smiles
CCCCCCC(C)O
Herb Alias Names
Octan-2-ol123-96-64128-31-82-Octyl alcoholHexylmethylcarbinol2-HydroxyoctaneDL-2-Octanol1-Methylheptanolsec-Caprylic alcohol
Molecular Weight
130.23 g/mol
Molecular Formula
CH3(CH2)5CH(OH)CH3
Molecular Formula
C8H18O
Num Rotatable Bonds
5