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
- 3584
- Core Entity Id
- 7170
- Source Entity Count
- 1
- Preferred Name
- 3',5'-dimethoxy-cinnamicacid pyrrolidine
- Name En
- Pubchem Id
- 124519056
- Smiles Canonical
- COC1=CC(=CC(=C1)C=CC(=O)N2CCCC2)OC
- Molecular Formula
- C15H19NO3
- Molecular Weight
- 261.3210
- Inchikey
- BRRDATYVUWMJSQ-AATRIKPKSA-N
- Inchi
- InChI=1S/C15H19NO3/c1-18-13-9-12(10-14(11-13)19-2)5-6-15(17)16-7-3-4-8-16/h5-6,9-11H,3-4,7-8H2,1-2H3/b6-5+
- Isomeric Smiles
- COC1=CC(=CC(=C1)/C=C/C(=O)N2CCCC2)OC
- Cas Id
- Ob Score
- Mol Logp
- 2.3394
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.7810
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3',5'-dimethoxy-cinnamicacid pyrrolidine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3',5'-dimethoxy-cinnamicacid pyrrolidine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3',5'-dimethoxy-cinnamicacid pyrrolidine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(E)-3-(3,5-dimethoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(E)-3-(3,5-dimethoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
4'-Demethoxypiperlotine C
Role
alias
Source
HERB_v2
Preferred
No
Name
4/'-Demethoxypiperlotine C
Role
alias
Source
itcmdb_public
Preferred
No
Name
807372-38-9
Role
alias
Source
HERB_v2
Preferred
No
Name
807372-38-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040761133
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040761133
Role
alias
Source
itcmdb_public
Preferred
No
Name
FS-10556
Role
alias
Source
HERB_v2
Preferred
No
Name
FS-10556
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(E)-3-(3,5-dimethoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one4'-Demethoxypiperlotine C4/'-Demethoxypiperlotine C807372-38-9AKOS040761133FS-10556
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN007652
Npass
NPC156470
Tcmid
6215
Pub Chem
124519056
Tcmbank
TCMBANKIN025645
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H19NO3/c1-18-13-9-12(10-14(11-13)19-2)5-6-15(17)16-7-3-4-8-16/h5-6,9-11H,3-4,7-8H2,1-2H3/b6-5+
Mol Wt
261.3209999999999
Smiles
COC1=CC(=CC(=C1)C=CC(=O)N2CCCC2)OC
Mol Log P
2.3394
In Ch Ikey
BRRDATYVUWMJSQ-AATRIKPKSA-N
Num Hdonors
0
Drug Likeness
0.781
Num Hacceptors
3
Isomeric Smiles
COC1=CC(=CC(=C1)/C=C/C(=O)N2CCCC2)OC
Canonical Smiles
COC1=CC(=CC(=C1)C=CC(=O)N2CCCC2)OC
Herb Alias Names
4'-Demethoxypiperlotine C807372-38-94/'-Demethoxypiperlotine C(E)-3-(3,5-dimethoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-oneAKOS040761133FS-10556
Molecular Formula
C15H19NO3
Molecular Formula
C15H19NO3
Num Rotatable Bonds
4