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
Herb: 3Ingredient: 1Target: 3Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1694
- Core Entity Id
- 5073
- Source Entity Count
- 1
- Preferred Name
- 2-butanol
- Name En
- Pubchem Id
- 6568
- Smiles Canonical
- CCC(C)O
- Molecular Formula
- C4H10O
- Molecular Weight
- 74.1230
- Inchikey
- BTANRVKWQNVYAZ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3
- Isomeric Smiles
- CCC(C)O
- Cas Id
- Ob Score
- Mol Logp
- 0.7772
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.4870
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-butanol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-butanol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-butanol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1-Methyl-1-propanol
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Methyl-1-propanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Methylpropyl alcohol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Methylpropyl alcohol
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Butyl alcohol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Butyl alcohol
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Hydroxybutane
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Hydroxybutane
Role
alias
Source
HERB_v2
Preferred
No
Name
78-92-2
Role
alias
Source
HERB_v2
Preferred
No
Name
78-92-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
Butan-2-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
Butan-2-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Butylene hydrate
Role
alias
Source
HERB_v2
Preferred
No
Name
Butylene hydrate
Role
alias
Source
itcmdb_public
Preferred
No
Name
SEC-BUTYL ALCOHOL
Role
alias
Source
HERB_v2
Preferred
No
Name
SEC-BUTYL ALCOHOL
Role
alias
Source
itcmdb_public
Preferred
No
Name
sec-Butanol
Role
alias
Source
HERB_v2
Preferred
No
Name
sec-Butanol
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-Methyl-1-propanol1-Methylpropyl alcohol2-Butyl alcohol2-Hydroxybutane78-92-2Butan-2-olButylene hydrateSEC-BUTYL ALCOHOLsec-Butanol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN005417HBIN043555
Npass
NPC299484
Tcmid
334863348736813
Pub Chem
6568
Tcmbank
TCMBANKIN060670
Drug Bank
DB02606
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3
Mol Wt
74.12299999999999
Smiles
CCC(C)O
Mol Log P
0.7771999999999999
In Ch Ikey
BTANRVKWQNVYAZ-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.487
Num Hacceptors
1
Isomeric Smiles
CCC(C)O
Canonical Smiles
CCC(C)O
Herb Alias Names
Butan-2-olsec-Butanol78-92-2SEC-BUTYL ALCOHOL2-Hydroxybutane2-Butyl alcoholButylene hydrate1-Methyl-1-propanol1-Methylpropyl alcohol
Molecular Weight
74.12 g/mol
Molecular Formula
C4H10O
Molecular Formula
C4H10O
Num Rotatable Bonds
1