Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 4277
- Core Entity Id
- 7940
- Source Entity Count
- 1
- Preferred Name
- 3-decen-2-one
- Name En
- Pubchem Id
- 5363233
- Smiles Canonical
- CCCCCCC=CC(=O)C
- Molecular Formula
- C10H18O
- Molecular Weight
- 154.2530
- Inchikey
- JRPDANVNRUIUAB-CMDGGOBGSA-N
- Inchi
- InChI=1S/C10H18O/c1-3-4-5-6-7-8-9-10(2)11/h8-9H,3-7H2,1-2H3/b9-8+
- Isomeric Smiles
- CCCCCC/C=C/C(=O)C
- Cas Id
- 10519-33-2
- Ob Score
- Mol Logp
- 3.1020
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.4240
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-Decen-2-One
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
3-Decen-2-One
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3-decen-2-one
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
3-decen-2-one
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-decen-2-one
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(3E)-Dec-3-en-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(3E)-Dec-3-en-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-3-Decen-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-3-Decen-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(E)-dec-3-en-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-dec-3-en-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
10519-33-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
10519-33-2
Role
alias
Source
HERB_v2
Preferred
No
Name
18402-84-1
Role
alias
Source
HERB_v2
Preferred
No
Name
18402-84-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
Heptylidene acetone
Role
alias
Source
HERB_v2
Preferred
No
Name
Heptylidene acetone
Role
alias
Source
itcmdb_public
Preferred
No
Name
Oenanthylidene acetone
Role
alias
Source
HERB_v2
Preferred
No
Name
Oenanthylidene acetone
Role
alias
Source
itcmdb_public
Preferred
No
Name
Trans-3-decen-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
Trans-3-decen-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
dec-3-en-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
dec-3-en-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(3E)-Dec-3-en-2-one(E)-3-Decen-2-one(E)-dec-3-en-2-one10519-33-218402-84-1Heptylidene acetoneOenanthylidene acetoneTrans-3-decen-2-onedec-3-en-2-one
Cross References
Trusted external identifiers retained for this final record.
Cas
10519-33-2
Herb
HBIN008415
Tcmid
24024
Sym Map
SMIT21111
Tcm Id
8153
Pub Chem
536323387891848
Tcmbank
TCMBANKIN020331
Itcmdb Generated
ITX-INGREDIENT-D4DE9B155F08
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C10H18O/c1-3-4-5-6-7-8-9-10(2)11/h8-9H,3-7H2,1-2H3/b9-8+
Mol Wt
154.253
Cas Id
10519-33-2
Smiles
CCCCCCC=CC(=O)C
Mol Log P
3.102000000000002
Version
v2
In Ch Ikey
JRPDANVNRUIUAB-CMDGGOBGSA-N
Suppress
0
Num Hdonors
0
Drug Likeness
0.424
Num Hacceptors
1
Isomeric Smiles
CCCCCC/C=C/C(=O)C
Canonical Smiles
CCCCCCC=CC(=O)C
Herb Alias Names
10519-33-2dec-3-en-2-oneHeptylidene acetone(E)-dec-3-en-2-oneOenanthylidene acetone18402-84-1Trans-3-decen-2-one(E)-3-Decen-2-one(3E)-Dec-3-en-2-one
Molecular Weight
154.25
Molecular Formula
C10H18O
Molecular Formula
C10H18O
Num Rotatable Bonds
6