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
- 14692
- Core Entity Id
- 19494
- Source Entity Count
- 1
- Preferred Name
- Cis-moschamine
- Name En
- Pubchem Id
- 10247438
- 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-CLTKARDFSA-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
- 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
Cis-moschamine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Cis-moschamine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
cis-Moschamine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
矢车菊
Role
TCM_name
Source
TCMBank
Preferred
No
Name
SHI CHE JU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Cornflower
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
Role
alias
Source
HERB_v2
Preferred
No
Name
(Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
Role
alias
Source
itcmdb_public
Preferred
No
Name
193224-24-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
193224-24-7
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040763563
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040763563
Role
alias
Source
HERB_v2
Preferred
No
Name
FS-8127
Role
alias
Source
itcmdb_public
Preferred
No
Name
FS-8127
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
矢车菊SHI CHE JUCornflower(Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide193224-24-7AKOS040763563FS-8127
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN020891
Tcmid
14990
Pub Chem
10247438
Tcmbank
TCMBANKIN042771
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
Mol Log P
2.959800000000001
In Ch Ikey
WGHKJYWENWLOMY-CLTKARDFSA-N
Tcm Name
矢车菊
Tcm Name2
SHI CHE JU
Mol2 Path
/TCM_database/2007_3d_all/14998.mol2
Reference
5174
Num Hdonors
4
Tcm Name En
Cornflower
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
193224-24-7(Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamideAKOS040763563FS-8127
Molecular Weight
352.4 g/mol
Molecular Formula
C20H20N2O4
Num Rotatable Bonds
6