Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Target: 7Links: 19
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 4663
- Core Entity Id
- 8373
- Source Entity Count
- 1
- Preferred Name
- 3-methyl-2-pent-2-enyl-cyclopent-2-enone
- Name En
- Pubchem Id
- 10261
- Smiles Canonical
- CCC=CCC1=C(CCC1=O)C
- Molecular Formula
- C11H16O
- Molecular Weight
- 164.2480
- Inchikey
- XMLSXPIVAXONDL-UHFFFAOYSA-N
- Inchi
- InChI=1S/C11H16O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h4-5H,3,6-8H2,1-2H3
- Isomeric Smiles
- CCC=CCC1=C(CCC1=O)C
- Cas Id
- 6261-18-3
- Ob Score
- 25.2767
- Mol Logp
- 3.0221
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.5860
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-Methyl-2-Pent-2-Enyl-Cyclopent-2-Enone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
3-Methyl-2-(2-Pentenyl)-2-Cyclopenten-1-One
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3-Methyl-2-(2-pentenyl)-2-cyclopenten-1-one
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3-Methyl-2-Pent-2-Enyl-Cyclopent-2-Enone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3-methyl-2-(2-pentenyl)-2-cyclopenten-1-one
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-methyl-2-pent-2-enyl-cyclopent-2-enone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3-methyl-2-pent-2-enyl-cyclopent-2-enone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(EZ)-jasmone
Role
alias
Source
itcmdb_public
Preferred
No
Name
(EZ)-jasmone
Role
alias
Source
HERB_v2
Preferred
No
Name
(Z)-3-Methyl-2-(2-pentenyl)-2-cyclopentenone
Role
alias
Source
itcmdb_public
Preferred
No
Name
(Z)-3-Methyl-2-(2-pentenyl)-2-cyclopentenone
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Cyclopenten-1-one, 3-methyl-2-(2Z)-2-pentenyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Cyclopenten-1-one, 3-methyl-2-(2Z)-2-pentenyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
3- methyl-2-(2-pentenyl)-2-cylco-penten-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3- methyl-2-(2-pentenyl)-2-cylco-penten-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-methyl-2-(pent-2-en-1-yl)cyclopent-2-en-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3-methyl-2-(pent-2-en-1-yl)cyclopent-2-en-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-methyl-2-pent-2-enylcyclopent-2-en-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3-methyl-2-pent-2-enylcyclopent-2-en-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS028108957
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS028108957
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID50859404
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID50859404
Role
alias
Source
itcmdb_public
Preferred
No
Name
SY036136
Role
alias
Source
HERB_v2
Preferred
No
Name
SY036136
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3-Methyl-2-(2-Pentenyl)-2-Cyclopenten-1-One(EZ)-jasmone(Z)-3-Methyl-2-(2-pentenyl)-2-cyclopentenone2-Cyclopenten-1-one, 3-methyl-2-(2Z)-2-pentenyl-3- methyl-2-(2-pentenyl)-2-cylco-penten-1-one3-methyl-2-(pent-2-en-1-yl)cyclopent-2-en-1-one3-methyl-2-pent-2-enylcyclopent-2-en-1-oneAKOS028108957DTXSID50859404SY036136
Cross References
Trusted external identifiers retained for this final record.
Cas
6261-18-3
Herb
HBIN008871HBIN008880HBIN031460
Npass
NPC283178
Tcmid
11821
Tcmsp
MOL003057
Sym Map
SMIT05193SMIT16108
Tcm Id
3296
Pub Chem
102611549019
Tcmbank
TCMBANKIN060711
Etcm Ingredient
3-Methyl-2-(2-pentenyl)-2-cyclopenten-1-one
Itcmdb Generated
ITX-INGREDIENT-63573F77221A
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C11H16O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h4-5H,3,6-8H2,1-2H3
Mol Wt
164.248
Cas Id
6261-18-3
Smiles
CCC=CCC1=C(CCC1=O)C
Mol Log P
3.022100000000002
Version
v1,v2
In Ch Ikey
XMLSXPIVAXONDL-UHFFFAOYSA-N
Ob Score
25.2766782325.277
Suppress
0
Num Hdonors
0
Drug Likeness
0.586
Num Hacceptors
1
Isomeric Smiles
CCC=CCC1=C(CCC1=O)C
Molecule Weight
164.27
Canonical Smiles
CCC=CCC1=C(CCC1=O)C
Herb Alias Names
2-Cyclopenten-1-one, 3-methyl-2-(2Z)-2-pentenyl-3-methyl-2-pent-2-enylcyclopent-2-en-1-one(EZ)-jasmone(Z)-3-Methyl-2-(2-pentenyl)-2-cyclopentenone3-methyl-2-(pent-2-en-1-yl)cyclopent-2-en-1-oneDTXSID50859404AKOS028108957SY0361363- methyl-2-(2-pentenyl)-2-cylco-penten-1-one
Molecular Weight
164.120
Molecular Weight
164.24 g/mol
Molecular Formula
C11H16O
Molecular Formula
C11H16O
Molecular Formula
C11H16O
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.191
Quantitative Estimate Of Drug Likeness（Qed）
0.586