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Herb: 3Ingredient: 1Links: 3
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 31191
- Core Entity Id
- 37855
- Source Entity Count
- 1
- Preferred Name
- Pyrrolidine,1-((2e,4e)-1-oxo-2,4-decadienyl)-
- Name En
- Pubchem Id
- 6440616
- Smiles Canonical
- CCCCCC=CC=CC(=O)N1CCCC1
- Molecular Formula
- C14H23NO
- Molecular Weight
- 221.3440
- Inchikey
- BFZBGTMIBOQWBA-HRCSPUOPSA-N
- Inchi
- InChI=1S/C14H23NO/c1-2-3-4-5-6-7-8-11-14(16)15-12-9-10-13-15/h6-8,11H,2-5,9-10,12-13H2,1H3/b7-6+,11-8+
- Isomeric Smiles
- CCCCC/C=C/C=C/C(=O)N1CCCC1
- Cas Id
- 78910-33-5
- Ob Score
- 61.1928
- Mol Logp
- 3.3015
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.3830
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Pyrrolidine, 1-((2E,4E)-1-Oxo-2,4-Decadienyl)-
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Pyrrolidine,1-((2e,4e)-1-oxo-2,4-decadienyl)-
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Pyrrolidine,1-((2e,4e)-1-oxo-2,4-decadienyl)-
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2E,4E)-1-(Pyrrolidin-1-yl)deca-2,4-dien-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(2E,4E)-1-pyrrolidin-1-yldeca-2,4-dien-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E,E)-1-(1-Oxo-2,4-decadienyl) pyrrolidine
Role
alias
Source
HERB_v2
Preferred
No
Name
(E,E)-1-(1-Oxo-2,4-decadienyl) pyrrolidine
Role
alias
Source
itcmdb_public
Preferred
No
Name
69ACA84TFV
Role
alias
Source
HERB_v2
Preferred
No
Name
69ACA84TFV
Role
alias
Source
itcmdb_public
Preferred
No
Name
78910-33-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
78910-33-5
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:70092
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:70092
Role
alias
Source
itcmdb_public
Preferred
No
Name
Iyeremide A
Role
alias
Source
itcmdb_public
Preferred
No
Name
Iyeremide A
Role
alias
Source
HERB_v2
Preferred
No
Name
Pyrrolidine, 1-[(2E,4E)-1-oxo-2,4-decadienyl]-
Role
alias
Source
HERB_v2
Preferred
No
Name
Pyrrolidine, 1-[(2E,4E)-1-oxo-2,4-decadienyl]-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Sarmentine
Role
alias
Source
HERB_v2
Preferred
No
Name
Sarmentine
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Pyrrolidine, 1-((2E,4E)-1-Oxo-2,4-Decadienyl)-(2E,4E)-1-(Pyrrolidin-1-yl)deca-2,4-dien-1-one(2E,4E)-1-pyrrolidin-1-yldeca-2,4-dien-1-one(E,E)-1-(1-Oxo-2,4-decadienyl) pyrrolidine69ACA84TFV78910-33-5CHEBI:70092Iyeremide APyrrolidine, 1-[(2E,4E)-1-oxo-2,4-decadienyl]-Sarmentine
Cross References
Trusted external identifiers retained for this final record.
Cas
78910-33-5
Herb
HBIN041418HBIN043167
Npass
NPC385
Tcmid
19356
Tcmsp
MOL002849
Sym Map
SMIT05021SMIT17591
Tcm Id
1231
Pub Chem
6440616
Tcmbank
TCMBANKIN060863
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C14H23NO/c1-2-3-4-5-6-7-8-11-14(16)15-12-9-10-13-15/h6-8,11H,2-5,9-10,12-13H2,1H3/b7-6+,11-8+
Mol Wt
221.3439999999999
Cas Id
78910-33-5
Smiles
CCCCCC=CC=CC(=O)N1CCCC1
Mol Log P
3.301500000000002
Version
v1,v2
In Ch Ikey
BFZBGTMIBOQWBA-HRCSPUOPSA-N
Ob Score
61.1927541161.193
Suppress
0
Num Hdonors
0
Drug Likeness
0.383
Num Hacceptors
1
Isomeric Smiles
CCCCC/C=C/C=C/C(=O)N1CCCC1
Molecule Weight
221.38
Canonical Smiles
CCCCCC=CC=CC(=O)N1CCCC1
Herb Alias Names
78910-33-5Sarmentine(2E,4E)-1-(Pyrrolidin-1-yl)deca-2,4-dien-1-oneIyeremide A(2E,4E)-1-pyrrolidin-1-yldeca-2,4-dien-1-one69ACA84TFVPyrrolidine, 1-[(2E,4E)-1-oxo-2,4-decadienyl]-CHEBI:70092(E,E)-1-(1-Oxo-2,4-decadienyl) pyrrolidinePyrrolidine, 1-((2E,4E)-1-oxo-2,4-decadienyl)-
Molecular Weight
221.34 g/mol
Molecular Formula
C14H23NO
Molecular Formula
C14H23NO
Num Rotatable Bonds
6