Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 2Links: 3
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 132
- Core Entity Id
- 1299
- Source Entity Count
- 1
- Preferred Name
- 2,2,3,3-tetramethylcyclopropanemethanol
- Name En
- Pubchem Id
- 544179
- Smiles Canonical
- CC1(C(C1(C)C)CO)C
- Molecular Formula
- C8H16O
- Molecular Weight
- 128.2150
- Inchikey
- JWMVEHPZNUNGIO-UHFFFAOYSA-N
- Inchi
- InChI=1S/C8H16O/c1-7(2)6(5-9)8(7,3)4/h6,9H,5H2,1-4H3
- Isomeric Smiles
- CC1(C(C1(C)C)CO)C
- Cas Id
- Ob Score
- 48.8280
- Mol Logp
- 1.6609
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5690
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,2,3,3-Tetramethylcyclopropanemethanol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2,2,3,3-Tetramethylcyclopropanemethanol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2,2,3,3-Tetramethylcyclopropanemethanol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2,2,3,3-Tetramethylcyclopropanemethanol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,2,3,3-tetramethylcyclopropanemethanol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2,2,3,3-tetramethylcyclopropanemethanol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(2,2,3,3-Tetramethylcyclopropyl)methanol
Role
alias
Source
HERB_v2
Preferred
No
Name
(2,2,3,3-Tetramethylcyclopropyl)methanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2,2,3,3-tetramethylcyclopropyl)methanol
Role
alias
Source
TCMBank
Preferred
No
Name
2415-96-5
Role
alias
Source
HERB_v2
Preferred
No
Name
2415-96-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS015822264
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS015822264
Role
alias
Source
itcmdb_public
Preferred
No
Name
AT27895
Role
alias
Source
HERB_v2
Preferred
No
Name
AT27895
Role
alias
Source
itcmdb_public
Preferred
No
Name
CAA41596
Role
alias
Source
HERB_v2
Preferred
No
Name
CAA41596
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cyclopropanemethanol, 2,2,3,3-tetramethyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Cyclopropanemethanol, 2,2,3,3-tetramethyl-
Role
alias
Source
TCMBank
Preferred
No
Name
Cyclopropanemethanol, 2,2,3,3-tetramethyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID30337710
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID30337710
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL1846482
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL1846482
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2,2,3,3-Tetramethylcyclopropyl)methanol2415-96-5AKOS015822264AT27895CAA41596Cyclopropanemethanol, 2,2,3,3-tetramethyl-DTXSID30337710SCHEMBL1846482
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN003637
Tcmsp
MOL011670
Sym Map
SMIT12541
Pub Chem
544179
Tcmbank
TCMBANKIN034678
Etcm Ingredient
2,2,3,3-Tetramethylcyclopropanemethanol
Itcmdb Generated
ITX-INGREDIENT-53A73B90CBC7
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C8H16O/c1-7(2)6(5-9)8(7,3)4/h6,9H,5H2,1-4H3
Mol Wt
128.215
Smiles
CC1(C(C1(C)C)CO)C
Mol Log P
1.6609
Version
v1,v2
In Ch Ikey
JWMVEHPZNUNGIO-UHFFFAOYSA-N
Ob Score
48.82848.8281196448.82812
Suppress
0
Num Hdonors
1
Drug Likeness
0.569
Num Hacceptors
1
Isomeric Smiles
CC1(C(C1(C)C)CO)C
Molecule Weight
128.24
Canonical Smiles
CC1(C(C1(C)C)CO)C
Herb Alias Names
(2,2,3,3-Tetramethylcyclopropyl)methanol2415-96-5Cyclopropanemethanol, 2,2,3,3-tetramethyl-SCHEMBL1846482DTXSID30337710CAA41596AKOS015822264AT278952,2,3,3-tetramethylcyclopropylmethanol
Molecular Weight
128.120
Molecular Weight
128.21 g/mol
Molecular Formula
C8H16O
Molecular Formula
C8H16O
Molecular Formula
C8H16O
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.078
Quantitative Estimate Of Drug Likeness（Qed）
0.569