Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 3Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2199
- Core Entity Id
- 5632
- Source Entity Count
- 1
- Preferred Name
- 2-methylbut-2-en-1-ol
- Name En
- Pubchem Id
- 20799
- Smiles Canonical
- CC=C(C)CO
- Molecular Formula
- C5H10O
- Molecular Weight
- 86.1340
- Inchikey
- NEJDKFPXHQRVMV-UHFFFAOYSA-N
- Inchi
- InChI=1S/C5H10O/c1-3-5(2)4-6/h3,6H,4H2,1-2H3
- Isomeric Smiles
- CC=C(C)CO
- Cas Id
- 4675-87-0
- Ob Score
- 86.8360
- Mol Logp
- 0.9449
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.4710
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-Methylbut-2-En-1-Ol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2-methylbut-2-en-1-ol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-methylbut-2-en-1-ol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-methylbut-2-en-1-ol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(E)-2-methylbut-2-en-1-ol
Role
alias
Source
TCMBank
Preferred
No
Name
2-Buten-1-ol, 2-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Buten-1-ol, 2-methyl-
Role
alias
Source
TCMBank
Preferred
No
Name
2-Buten-1-ol, 2-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-METHYL-2-BUTEN-1-OL
Role
alias
Source
TCMBank
Preferred
No
Name
2-Methyl-2-butenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Methyl-2-butenol
Role
alias
Source
HERB_v2
Preferred
No
Name
4675-87-0
Role
alias
Source
HERB_v2
Preferred
No
Name
4675-87-0
Role
alias
Source
TCMBank
Preferred
No
Name
4675-87-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID2063553
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID2063553
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 225-127-0
Role
alias
Source
TCMBank
Preferred
No
Name
NS00082636
Role
alias
Source
HERB_v2
Preferred
No
Name
NS00082636
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(E)-2-methylbut-2-en-1-ol2-Buten-1-ol, 2-methyl-2-METHYL-2-BUTEN-1-OL2-Methyl-2-butenol4675-87-0DTXSID2063553EINECS 225-127-0NS00082636
Cross References
Trusted external identifiers retained for this final record.
Cas
4675-87-0
Herb
HBIN006027
Tcmsp
MOL010596
Sym Map
SMIT11617
Pub Chem
2079953662666433417
Tcmbank
TCMBANKIN032527
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C5H10O/c1-3-5(2)4-6/h3,6H,4H2,1-2H3
Mol Wt
86.13399999999999
Cas Id
4675-87-0
Smiles
CC=C(C)CO
Mol Log P
0.9448999999999999
Version
v1
In Ch Ikey
NEJDKFPXHQRVMV-UHFFFAOYSA-N
Ob Score
86.83686.836038
Suppress
0
Num Hdonors
1
Drug Likeness
0.471
Num Hacceptors
1
Isomeric Smiles
CC=C(C)CO
Molecule Weight
86.15
Canonical Smiles
CC=C(C)CO
Herb Alias Names
4675-87-02-Buten-1-ol, 2-methyl-2-Methyl-2-butenolDTXSID2063553NS00082636
Molecular Weight
86.13
Molecular Formula
C5H10O
Molecular Formula
C5H10O
Num Rotatable Bonds
1