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
- 27183
- Core Entity Id
- 33400
- Source Entity Count
- 1
- Preferred Name
- Nauclefine
- Name En
- Pubchem Id
- 320217
- Smiles Canonical
- C1CN2C(=CC3=C(C2=O)C=NC=C3)C4=C1C5=CC=CC=C5N4
- Molecular Formula
- C18H13N3O
- Molecular Weight
- 287.3220
- Inchikey
- BGFQUYBVDVRJSP-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H13N3O/c22-18-14-10-19-7-5-11(14)9-16-17-13(6-8-21(16)18)12-3-1-2-4-15(12)20-17/h1-5,7,9-10,20H,6,8H2
- Isomeric Smiles
- C1CN2C(=CC3=C(C2=O)C=NC=C3)C4=C1C5=CC=CC=C5N4
- Cas Id
- Ob Score
- Mol Logp
- 3.1009
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5400
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Nauclefine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Nauclefine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Nauclefine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
nauclefine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
57103-51-2
Role
alias
Source
HERB_v2
Preferred
No
Name
57103-51-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
8,13-Dihydroindolo[2',3':3,4]pyrido[1,2-b][2,7]naphthyridin-5(7H)-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
8,13-Dihydroindolo[2',3':3,4]pyrido[1,2-b][2,7]naphthyridin-5(7H)-one
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID50205725
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID50205725
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC-266710
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC266710
Role
alias
Source
HERB_v2
Preferred
No
Name
PARVINE
Role
alias
Source
itcmdb_public
Preferred
No
Name
PARVINE
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-YC1GXM1K1W
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-YC1GXM1K1W
Role
alias
Source
itcmdb_public
Preferred
No
Name
YC1GXM1K1W
Role
alias
Source
HERB_v2
Preferred
No
Name
YC1GXM1K1W
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
57103-51-28,13-Dihydroindolo[2',3':3,4]pyrido[1,2-b][2,7]naphthyridin-5(7H)-oneDTXSID50205725NSC-266710NSC266710PARVINEUNII-YC1GXM1K1WYC1GXM1K1W
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN036403
Tcmid
15297
Pub Chem
320217
Tcmbank
TCMBANKIN047664
Etcm Ingredient
Nauclefine
Itcmdb Generated
ITX-INGREDIENT-CCF3D39B26DC
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H13N3O/c22-18-14-10-19-7-5-11(14)9-16-17-13(6-8-21(16)18)12-3-1-2-4-15(12)20-17/h1-5,7,9-10,20H,6,8H2
Mol Wt
287.322
Smiles
C1CN2C(=CC3=C(C2=O)C=NC=C3)C4=C1C5=CC=CC=C5N4
Mol Log P
3.100900000000001
In Ch Ikey
BGFQUYBVDVRJSP-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/15305.mol2
Reference
2178
Num Hdonors
1
Drug Likeness
0.54
Num Hacceptors
3
Isomeric Smiles
C1CN2C(=CC3=C(C2=O)C=NC=C3)C4=C1C5=CC=CC=C5N4
Canonical Smiles
C1CN2C(=CC3=C(C2=O)C=NC=C3)C4=C1C5=CC=CC=C5N4
Herb Alias Names
PARVINE57103-51-2YC1GXM1K1W8,13-Dihydroindolo[2',3':3,4]pyrido[1,2-b][2,7]naphthyridin-5(7H)-oneUNII-YC1GXM1K1WNSC266710NSC 266710NSC-266710DTXSID50205725
Molecular Weight
287.110
Molecular Weight
287.3 g/mol
Molecular Formula
C18H13N3O
Molecular Formula
C18H13N3O
Molecular Formula
C18H13N3O
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.923
Quantitative Estimate Of Drug Likeness（Qed）
0.540