Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 4Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2218
- Core Entity Id
- 5654
- Source Entity Count
- 1
- Preferred Name
- 2-methylene cyclopentanol
- Name En
- Pubchem Id
- 550922
- Smiles Canonical
- C=C1CCCC1O
- Molecular Formula
- C6H10O
- Molecular Weight
- 98.1450
- Inchikey
- GQKSJBOBUIUXGZ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h6-7H,1-4H2
- Isomeric Smiles
- C=C1CCCC1O
- Cas Id
- Ob Score
- 54.5970
- Mol Logp
- 1.0874
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4490
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-Methylene Cyclopentanol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2-Methylene Cyclopentanol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2-Methylene cyclopentanol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2-Methylene cyclopentanol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-methylene cyclopentanol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-methylene cyclopentanol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-methylene-cyclopentan-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
2-methylene-cyclopentan-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-methylenecyclopentanol
Role
alias
Source
HERB_v2
Preferred
No
Name
2-methylenecyclopentanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-methylidenecyclopentan-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
2-methylidenecyclopentan-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
20461-31-8
Role
alias
Source
HERB_v2
Preferred
No
Name
20461-31-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cyclopentanol, 2-methylene-
Role
alias
Source
HERB_v2
Preferred
No
Name
Cyclopentanol, 2-methylene-
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID60338750
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID60338750
Role
alias
Source
HERB_v2
Preferred
No
Name
EN300-6493088
Role
alias
Source
itcmdb_public
Preferred
No
Name
EN300-6493088
Role
alias
Source
HERB_v2
Preferred
No
Name
GQKSJBOBUIUXGZ-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
GQKSJBOBUIUXGZ-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-methylene-cyclopentan-1-ol2-methylenecyclopentanol2-methylidenecyclopentan-1-ol20461-31-8Cyclopentanol, 2-methylene-DTXSID60338750EN300-6493088GQKSJBOBUIUXGZ-UHFFFAOYSA-N
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN006051
Tcmsp
MOL005611
Sym Map
SMIT07340
Pub Chem
550922
Tcmbank
TCMBANKIN028437
Etcm Ingredient
2-Methylene cyclopentanol
Itcmdb Generated
ITX-INGREDIENT-B4AC3FACED7D
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h6-7H,1-4H2
Mol Wt
98.14499999999998
Smiles
C=C1CCCC1O
Mol Log P
1.0874
Version
v1,v2
In Ch Ikey
GQKSJBOBUIUXGZ-UHFFFAOYSA-N
Ob Score
54.59754.59715354.59715341
Suppress
0
Num Hdonors
1
Drug Likeness
0.449
Num Hacceptors
1
Isomeric Smiles
C=C1CCCC1O
Molecule Weight
98.16
Canonical Smiles
C=C1CCCC1O
Herb Alias Names
2-methylenecyclopentanol2-methylidenecyclopentan-1-ol20461-31-8Cyclopentanol, 2-methylene-2-Methylene-cyclopentanol2-methylene-cyclopentan-1-olDTXSID60338750GQKSJBOBUIUXGZ-UHFFFAOYSA-NEN300-6493088
Molecular Weight
98.070
Molecular Weight
98.14 g/mol
Molecular Formula
C6H10O
Molecular Formula
C6H10O
Molecular Formula
C6H10O
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.904
Quantitative Estimate Of Drug Likeness（Qed）
0.449