Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15906
- Core Entity Id
- 20848
- Source Entity Count
- 1
- Preferred Name
- Cyclopentenone
- Name En
- Pubchem Id
- 13588
- Smiles Canonical
- C1CC(=O)C=C1
- Molecular Formula
- C5H6O
- Molecular Weight
- 82.1020
- Inchikey
- BZKFMUIJRXWWQK-UHFFFAOYSA-N
- Inchi
- InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2
- Isomeric Smiles
- C1CC(=O)C=C1
- Cas Id
- 28982-58-3
- Ob Score
- 13.0640
- Mol Logp
- 0.9055
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4240
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cyclopentenone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Cyclopentenone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Cyclopentenone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Cyclopentenone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Cyclopentenone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Cyclopentenone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1-cyclopent-2-enone
Role
alias
Source
TCMBank
Preferred
No
Name
2-CYCLOPENTEN-1-ONE
Role
alias
Source
HERB_v2
Preferred
No
Name
2-CYCLOPENTEN-1-ONE
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Cyclopenten-1-one
Role
alias
Source
TCMBank
Preferred
No
Name
2-Cyclopenten-1-one (8CI)(9CI)
Role
alias
Source
TCMBank
Preferred
No
Name
2-Cyclopentene-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Cyclopentene-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Cyclopentenone
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Cyclopentenone
Role
alias
Source
TCMBank
Preferred
No
Name
2-Cyclopentenone
Role
alias
Source
itcmdb_public
Preferred
No
Name
28982-58-3
Role
alias
Source
TCMBank
Preferred
No
Name
29827_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
3-Cyclopenten-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Cyclopenten-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Cyclopenten-2-one
Role
alias
Source
TCMBank
Preferred
No
Name
930-30-3
Role
alias
Source
TCMBank
Preferred
No
Name
930-30-3
Role
alias
Source
HERB_v2
Preferred
No
Name
930-30-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
C112909_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:26334
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:26335
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:26346
Role
alias
Source
TCMBank
Preferred
No
Name
Cyclopent-2-enone
Role
alias
Source
HERB_v2
Preferred
No
Name
Cyclopent-2-enone
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cyclopenten-3-one
Role
alias
Source
TCMBank
Preferred
No
Name
Cyclopenten-3-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cyclopenten-3-one
Role
alias
Source
HERB_v2
Preferred
No
Name
Cyclopenten-3-one (VAN)
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 213-213-0
Role
alias
Source
TCMBank
Preferred
No
Name
InChI=1/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 73117
Role
alias
Source
TCMBank
Preferred
No
Name
ST5411548
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-Q0U2IGF9CK
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-Q0U2IGF9CK
Role
alias
Source
itcmdb_public
Preferred
No
Name
ZINC01698890
Role
alias
Source
TCMBank
Preferred
No
Name
cyclopent-2-en-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
cyclopent-2-en-1-one
Role
alias
Source
TCMBank
Preferred
No
Name
cyclopent-2-en-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
prostaglandins A
Role
alias
Source
TCMBank
Preferred
No
Name
prostaglandins B
Role
alias
Source
TCMBank
Preferred
No
Name
prostaglandins J
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-cyclopent-2-enone2-CYCLOPENTEN-1-ONE2-Cyclopenten-1-one (8CI)(9CI)2-Cyclopentene-1-one2-Cyclopentenone28982-58-329827_FLUKA3-Cyclopenten-2-one930-30-3C112909_ALDRICHCHEBI:26334CHEBI:26335CHEBI:26346Cyclopent-2-enoneCyclopenten-3-oneCyclopenten-3-one (VAN)EINECS 213-213-0InChI=1/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4HNSC 73117ST5411548UNII-Q0U2IGF9CKZINC01698890cyclopent-2-en-1-oneprostaglandins Aprostaglandins Bprostaglandins J
Cross References
Trusted external identifiers retained for this final record.
Cas
28982-58-3
Herb
HBIN022341
Npass
NPC24833
Tcmsp
MOL006000
Sym Map
SMIT07681
Pub Chem
13588
Tcmbank
TCMBANKIN015275
Etcm Ingredient
Cyclopentenone
Itcmdb Generated
ITX-INGREDIENT-A2FC3F3C8A03
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2
Mol Wt
82.10199999999999
Cas Id
28982-58-3
Smiles
C1CC(=O)C=C1
Mol Log P
0.9055
Version
v1,v2
In Ch Ikey
BZKFMUIJRXWWQK-UHFFFAOYSA-N
Ob Score
13.06413.0644159713.064416
Suppress
0
Num Hdonors
0
Drug Likeness
0.424
Num Hacceptors
1
Isomeric Smiles
C1CC(=O)C=C1
Molecule Weight
82.11
Canonical Smiles
C1CC(=O)C=C1
Herb Alias Names
2-CYCLOPENTEN-1-ONE930-30-32-Cyclopentenonecyclopent-2-en-1-oneCyclopent-2-enoneCyclopenten-3-one3-Cyclopenten-2-one2-Cyclopentene-1-oneUNII-Q0U2IGF9CK
Molecular Weight
82.040
Molecular Weight
82.1 g/mol
Molecular Formula
C5H6O
Molecular Formula
C5H6O
Molecular Formula
C5H6O
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.631
Quantitative Estimate Of Drug Likeness（Qed）
0.424