Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Target: 13Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15293
- Core Entity Id
- 20166
- Source Entity Count
- 1
- Preferred Name
- Coryphenanthrine
- Name En
- Pubchem Id
- 11462401
- Smiles Canonical
- CNCCC1=CC(=C(C2=C1C=CC3=CC(=C(C=C32)OC)OC)OC)OC
- Molecular Formula
- C21H25NO4
- Molecular Weight
- 355.4340
- Inchikey
- QGNLUOSBJAGYFF-UHFFFAOYSA-N
- Inchi
- InChI=1S/C21H25NO4/c1-22-9-8-14-11-19(25-4)21(26-5)20-15(14)7-6-13-10-17(23-2)18(24-3)12-16(13)20/h6-7,10-12,22H,8-9H2,1-5H3
- Isomeric Smiles
- CNCCC1=CC(=C(C2=C1C=CC3=CC(=C(C=C32)OC)OC)OC)OC
- Cas Id
- 66190-61-2
- Ob Score
- 61.1460
- Mol Logp
- 3.7893
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.6540
- Polar Surface Area
- 49.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Methyl-[2-(3,4,6,7-Tetramethoxy-1-Phenanthryl)Ethyl]Amine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Coryphenanthrine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Coryphenanthrine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Methyl-[2-(3,4,6,7-Tetramethoxy-1-Phenanthryl)Ethyl]Amine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Methyl-[2-(3,4,6,7-tetramethoxy-1-phenanthryl)ethyl]amine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Methyl-[2-(3,4,6,7-tetramethoxy-1-phenanthryl)ethyl]amine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
coryphenanthrine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
methyl-[2-(3,4,6,7-tetramethoxy-1-phenanthryl)ethyl]amine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
methyl-[2-(3,4,6,7-tetramethoxy-1-phenanthryl)ethyl]amine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
1-(2-methylaminoethyl)-3,4,6,7-tetramethoxyphenanthrene
Role
alias
Source
HERB_v2
Preferred
No
Name
1-(2-methylaminoethyl)-3,4,6,7-tetramethoxyphenanthrene
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS037516165
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS037516165
Role
alias
Source
HERB_v2
Preferred
No
Name
BBL036436
Role
alias
Source
itcmdb_public
Preferred
No
Name
BBL036436
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL4971418
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL4971418
Role
alias
Source
HERB_v2
Preferred
No
Name
N-methyl-2-(3,4,6,7-tetramethoxy-1-phenanthryl)ethanamine
Role
alias
Source
TCMBank
Preferred
No
Name
N-methyl-2-(3,4,6,7-tetramethoxyphenanthren-1-yl)ethanamine
Role
alias
Source
TCMBank
Preferred
No
Name
N-methyl-2-(3,4,6,7-tetramethoxyphenanthren-1-yl)ethanamine
Role
alias
Source
HERB_v2
Preferred
No
Name
N-methyl-2-(3,4,6,7-tetramethoxyphenanthren-1-yl)ethanamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
STL558996
Role
alias
Source
HERB_v2
Preferred
No
Name
STL558996
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Methyl-[2-(3,4,6,7-Tetramethoxy-1-Phenanthryl)Ethyl]Amine1-(2-methylaminoethyl)-3,4,6,7-tetramethoxyphenanthreneAKOS037516165BBL036436CHEMBL4971418N-methyl-2-(3,4,6,7-tetramethoxy-1-phenanthryl)ethanamineN-methyl-2-(3,4,6,7-tetramethoxyphenanthren-1-yl)ethanamineSTL558996
Cross References
Trusted external identifiers retained for this final record.
Cas
66190-61-2
Herb
HBIN021581HBIN034906
Tcmsp
MOL004200
Sym Map
SMIT06162
Tcm Id
5462
Pub Chem
11462401
Tcmbank
TCMBANKIN012500TCMBANKIN030143
Etcm Ingredient
methyl-[2-(3,4,6,7-tetramethoxy-1-phenanthryl)ethyl]amine
Itcmdb Generated
ITX-INGREDIENT-7A1EFE4D8190
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C21H25NO4/c1-22-9-8-14-11-19(25-4)21(26-5)20-15(14)7-6-13-10-17(23-2)18(24-3)12-16(13)20/h6-7,10-12,22H,8-9H2,1-5H3
Mol Wt
355.4340000000001
Cas Id
66190-61-2
Smiles
CNCCC1=CC(=C(C2=C1C=CC3=CC(=C(C=C32)OC)OC)OC)OC
Mol Log P
3.789300000000003
Version
v1,v2
In Ch Ikey
QGNLUOSBJAGYFF-UHFFFAOYSA-N
Ob Score
61.14661.14627461.14627427
Suppress
0
Num Hdonors
1
Drug Likeness
0.654
Num Hacceptors
5
Isomeric Smiles
CNCCC1=CC(=C(C2=C1C=CC3=CC(=C(C=C32)OC)OC)OC)OC
Molecule Weight
355.47
Canonical Smiles
CNCCC1=CC(=C(C2=C1C=CC3=CC(=C(C=C32)OC)OC)OC)OC
Molecular Weight
355.180
Molecular Weight
355.43
Molecular Formula
C21H25NO4
Molecular Formula
C21H25NO4
Molecular Formula
C21H25NO4
Num Rotatable Bonds
7
Fda Maximum Daily Dose (Fdamdd)
0.855
Quantitative Estimate Of Drug Likeness（Qed）
0.654