Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 3Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 26694
- Core Entity Id
- 32861
- Source Entity Count
- 1
- Preferred Name
- Moschamine
- Name En
- Pubchem Id
- 5969616
- Smiles Canonical
- COC1=C(C=CC(=C1)C=CC(=O)NCCC2=CNC3=C2C=C(C=C3)O)O
- Molecular Formula
- C20H20N2O4
- Molecular Weight
- 352.3900
- Inchikey
- WGHKJYWENWLOMY-XVNBXDOJSA-N
- Inchi
- InChI=1S/C20H20N2O4/c1-26-19-10-13(2-6-18(19)24)3-7-20(25)21-9-8-14-12-22-17-5-4-15(23)11-16(14)17/h2-7,10-12,22-24H,8-9H2,1H3,(H,21,25)/b7-3+
- Isomeric Smiles
- COC1=C(C=CC(=C1)/C=C/C(=O)NCCC2=CNC3=C2C=C(C=C3)O)O
- Cas Id
- 68573-23-9
- Ob Score
- Mol Logp
- 2.9598
- Num H Donors
- 4
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.5130
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Moschamine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Moschamine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
moschamine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
moschamine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(E)-N-(2-(5-Hydroxy-1H-indol-3-yl)ethyl)-3-(4-hydroxy-3-methoxyphenyl)acrylamide
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-N-(2-(5-Hydroxy-1H-indol-3-yl)ethyl)-3-(4-hydroxy-3-methoxyphenyl)acrylamide
Role
alias
Source
HERB_v2
Preferred
No
Name
193224-22-5
Role
alias
Source
HERB_v2
Preferred
No
Name
193224-22-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
68573-23-9
Role
alias
Source
HERB_v2
Preferred
No
Name
68573-23-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:85158
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:85158
Role
alias
Source
itcmdb_public
Preferred
No
Name
Feruloylserotonin 98
Role
alias
Source
itcmdb_public
Preferred
No
Name
Feruloylserotonin 98
Role
alias
Source
HERB_v2
Preferred
No
Name
N-Feruloylserotonin
Role
alias
Source
HERB_v2
Preferred
No
Name
N-Feruloylserotonin
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-2PP8322487
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-2PP8322487
Role
alias
Source
HERB_v2
Preferred
No
Name
feruloylserotonin
Role
alias
Source
itcmdb_public
Preferred
No
Name
feruloylserotonin
Role
alias
Source
HERB_v2
Preferred
No
Name
moschamine
Role
alias
Source
TCMBank
Preferred
No
Name
trans-moschamine
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(E)-N-(2-(5-Hydroxy-1H-indol-3-yl)ethyl)-3-(4-hydroxy-3-methoxyphenyl)acrylamide193224-22-568573-23-9CHEBI:85158Feruloylserotonin 98N-FeruloylserotoninUNII-2PP8322487feruloylserotonintrans-moschamine
Cross References
Trusted external identifiers retained for this final record.
Cas
68573-23-9
Herb
HBIN035797HBIN046782
Npass
NPC266931
Tcmid
14991
Tcm Id
25392541
Pub Chem
5969616
Tcmbank
TCMBANKIN005333TCMBANKIN061575
Etcm Ingredient
moschamine
Itcmdb Generated
ITX-INGREDIENT-7E716A252816
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H20N2O4/c1-26-19-10-13(2-6-18(19)24)3-7-20(25)21-9-8-14-12-22-17-5-4-15(23)11-16(14)17/h2-7,10-12,22-24H,8-9H2,1H3,(H,21,25)/b7-3+
Mol Wt
352.39
Cas Id
68573-23-9
Smiles
COC1=C(C=CC(=C1)C=CC(=O)NCCC2=CNC3=C2C=C(C=C3)O)O
Mol Log P
2.959800000000001
In Ch Ikey
WGHKJYWENWLOMY-XVNBXDOJSA-N
Num Hdonors
4
Drug Likeness
0.513
Num Hacceptors
4
Isomeric Smiles
COC1=C(C=CC(=C1)/C=C/C(=O)NCCC2=CNC3=C2C=C(C=C3)O)O
Canonical Smiles
COC1=C(C=CC(=C1)C=CC(=O)NCCC2=CNC3=C2C=C(C=C3)O)O
Herb Alias Names
N-FeruloylserotoninN-Feruloyl Serotonin68573-23-9feruloylserotonin193224-22-5Feruloylserotonin 98(E)-N-(2-(5-Hydroxy-1H-indol-3-yl)ethyl)-3-(4-hydroxy-3-methoxyphenyl)acrylamideCHEBI:85158UNII-2PP8322487
Molecular Weight
352.140
Molecular Weight
352.38352.4 g/mol
Molecular Formula
C20H20N2O4
Molecular Formula
C20H20N2O4
Molecular Formula
C20H20N2O4
Num Rotatable Bonds
6
Fda Maximum Daily Dose (Fdamdd)
0.921
Quantitative Estimate Of Drug Likeness（Qed）
0.513