Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 5Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 22855
- Core Entity Id
- 28590
- Source Entity Count
- 1
- Preferred Name
- Isoprenol
- Name En
- Pubchem Id
- 12988
- Smiles Canonical
- CC(=C)CCO
- Molecular Formula
- C5H10O
- Molecular Weight
- 86.1340
- Inchikey
- CPJRRXSHAYUTGL-UHFFFAOYSA-N
- Inchi
- InChI=1S/C5H10O/c1-5(2)3-4-6/h6H,1,3-4H2,2H3
- Isomeric Smiles
- CC(=C)CCO
- Cas Id
- 763-32-6
- Ob Score
- 65.7200
- Mol Logp
- 0.9449
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.4960
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Isoprenol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Isoprenol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Isoprenol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Isoprenol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
129402_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
2-Methyl-1-buten-4-ol
Role
alias
Source
TCMBank
Preferred
No
Name
2-Methyl-1-buten-4-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Methyl-1-buten-4-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Buten-1-ol, 3-methyl-
Role
alias
Source
TCMBank
Preferred
No
Name
3-Buten-1-ol, 3-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Buten-1-ol, 3-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Isopentenyl alcohol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Isopentenyl alcohol
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Isopentenyl alcohol
Role
alias
Source
TCMBank
Preferred
No
Name
3-METHYL-3-BUTEN-1-OL
Role
alias
Source
TCMBank
Preferred
No
Name
3-METHYL-3-BUTEN-1-OL
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-METHYL-3-BUTEN-1-OL
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Methylbut-3-en-1-ol
Role
alias
Source
TCMBank
Preferred
No
Name
3-Methylbut-3-en-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Methylbut-3-en-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
66095_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
763-32-6
Role
alias
Source
TCMBank
Preferred
No
Name
763-32-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
763-32-6
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 212-110-8
Role
alias
Source
TCMBank
Preferred
No
Name
Isobutenylcarbinol
Role
alias
Source
HERB_v2
Preferred
No
Name
Isobutenylcarbinol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Isobutenylcarbinol
Role
alias
Source
TCMBank
Preferred
No
Name
Isopropenylethyl alcohol
Role
alias
Source
HERB_v2
Preferred
No
Name
Isopropenylethyl alcohol
Role
alias
Source
TCMBank
Preferred
No
Name
Isopropenylethyl alcohol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Methallyl carbinol
Role
alias
Source
TCMBank
Preferred
No
Name
Methallylcarbinol
Role
alias
Source
HERB_v2
Preferred
No
Name
Methallylcarbinol
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC122673
Role
alias
Source
TCMBank
Preferred
No
Name
W519308_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC01712065
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
129402_ALDRICH2-Methyl-1-buten-4-ol3-Buten-1-ol, 3-methyl-3-Isopentenyl alcohol3-METHYL-3-BUTEN-1-OL3-Methylbut-3-en-1-ol66095_FLUKA763-32-6EINECS 212-110-8IsobutenylcarbinolIsopropenylethyl alcoholMethallyl carbinolMethallylcarbinolNSC122673W519308_ALDRICHZINC01712065
Cross References
Trusted external identifiers retained for this final record.
Cas
763-32-6
Herb
HBIN031051
Npass
NPC28077
Tcmsp
MOL005823
Sym Map
SMIT07527
Pub Chem
12988
Tcmbank
TCMBANKIN019306
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C5H10O/c1-5(2)3-4-6/h6H,1,3-4H2,2H3
Mol Wt
86.134
Cas Id
763-32-6
Smiles
CC(=C)CCO
Mol Log P
0.9448999999999999
Version
v1,v2
In Ch Ikey
CPJRRXSHAYUTGL-UHFFFAOYSA-N
Ob Score
65.7265.7203765.72037003
Suppress
0
Num Hdonors
1
Drug Likeness
0.496
Num Hacceptors
1
Isomeric Smiles
CC(=C)CCO
Molecule Weight
86.15
Canonical Smiles
CC(=C)CCO
Herb Alias Names
3-METHYL-3-BUTEN-1-OL3-Methylbut-3-en-1-ol763-32-63-Buten-1-ol, 3-methyl-IsobutenylcarbinolMethallylcarbinol2-Methyl-1-buten-4-ol3-Isopentenyl alcoholIsopropenylethyl alcohol
Molecular Weight
86.13
Molecular Formula
C5H10O
Molecular Formula
C5H10O
Num Rotatable Bonds
2