Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Target: 1Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 27164
- Core Entity Id
- 33379
- Source Entity Count
- 1
- Preferred Name
- Narwedine
- Name En
- Pubchem Id
- 10356588
- Smiles Canonical
- CN1CCC23C=CC(=O)CC2OC4=C(C=CC(=C34)C1)OC
- Molecular Formula
- C17H19NO3
- Molecular Weight
- 285.3430
- Inchikey
- QENVUHCAYXAROT-YOEHRIQHSA-N
- Inchi
- InChI=1S/C17H19NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,14H,7-10H2,1-2H3/t14-,17-/m0/s1
- Isomeric Smiles
- CN1CC[C@@]23C=CC(=O)C[C@@H]2OC4=C(C=CC(=C34)C1)OC
- Cas Id
- Ob Score
- Mol Logp
- 2.0585
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7910
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Narwedine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Narwedine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Narwedine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Narwedine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
narwedine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(+/-)-Narwedine
Role
alias
Source
itcmdb_public
Preferred
No
Name
(-)-Narwedine
Role
alias
Source
HERB_v2
Preferred
No
Name
(4aS,8aS)-4a,5,9,10,11,12-Hexahydro-3-methoxy-11-methyl-6H-benzofuro[3a,3,2-ef][2]benzazepin-6-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(4aS,8aS)-4a,5,9,10,11,12-Hexahydro-3-methoxy-11-methyl-6H-benzofuro[3a,3,2-ef][2]benzazepin-6-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1668-86-6
Role
alias
Source
HERB_v2
Preferred
No
Name
1668-86-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
510-77-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
510-77-0
Role
alias
Source
HERB_v2
Preferred
No
Name
Galanthaminone
Role
alias
Source
itcmdb_public
Preferred
No
Name
Galanthaminone
Role
alias
Source
HERB_v2
Preferred
No
Name
Galanthaminonel
Role
alias
Source
HERB_v2
Preferred
No
Name
Galanthaminonel
Role
alias
Source
itcmdb_public
Preferred
No
Name
Narwedin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Narwedin
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(+/-)-Narwedine(-)-Narwedine(4aS,8aS)-4a,5,9,10,11,12-Hexahydro-3-methoxy-11-methyl-6H-benzofuro[3a,3,2-ef][2]benzazepin-6-one1668-86-6510-77-0GalanthaminoneGalanthaminonelNarwedin
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN036383
Npass
NPC284842
Tcmid
15280
Sym Map
SMIT16817
Pub Chem
10356588
Tcmbank
TCMBANKIN033792
Etcm Ingredient
Narwedine
Itcmdb Generated
ITX-INGREDIENT-54AD4F82F5A8
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C17H19NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,14H,7-10H2,1-2H3/t14-,17-/m0/s1
Mol Wt
285.343
Smiles
CN1CCC23C=CC(=O)CC2OC4=C(C=CC(=C34)C1)OC
Mol Log P
2.0585
Version
v1,v2
In Ch Ikey
QENVUHCAYXAROT-YOEHRIQHSA-N
Suppress
0
Num Hdonors
0
Drug Likeness
0.791
Num Hacceptors
4
Isomeric Smiles
CN1CC[C@@]23C=CC(=O)C[C@@H]2OC4=C(C=CC(=C34)C1)OC
Canonical Smiles
CN1CCC23C=CC(=O)CC2OC4=C(C=CC(=C34)C1)OC
Herb Alias Names
Galanthaminone510-77-01668-86-6(-)-Narwedine(+/-)-NarwedineNarwedine, (+/-)-GalanthaminonelNarwedin(4aS,8aS)-4a,5,9,10,11,12-Hexahydro-3-methoxy-11-methyl-6H-benzofuro[3a,3,2-ef][2]benzazepin-6-one
Molecular Weight
285.140
Molecular Weight
285.34 g/mol
Molecular Formula
C17H19NO3
Molecular Formula
C17H19NO3
Molecular Formula
C17H19NO3
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.902
Quantitative Estimate Of Drug Likeness（Qed）
0.791