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
- 27188
- Core Entity Id
- 33406
- Source Entity Count
- 1
- Preferred Name
- Nauclequiniine
- Name En
- Pubchem Id
- 5320036
- Smiles Canonical
- C1CN2C(=CC3=C(C=CC(=C3C2=O)O)C=O)C4=C1C5=CC=CC=C5N4
- Molecular Formula
- C20H14N2O3
- Molecular Weight
- 330.3430
- Inchikey
- LVMGFLUBFFLCIP-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H14N2O3/c23-10-11-5-6-17(24)18-14(11)9-16-19-13(7-8-22(16)20(18)25)12-3-1-2-4-15(12)21-19/h1-6,9-10,21,24H,7-8H2
- Isomeric Smiles
- C1CN2C(=CC3=C(C=CC(=C3C2=O)O)C=O)C4=C1C5=CC=CC=C5N4
- Cas Id
- Ob Score
- Mol Logp
- 3.2240
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5260
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Nauclequiniine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Nauclequiniine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Nauclequiniine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
波氏乌檀
Role
TCM_name
Source
TCMBank
Preferred
No
Name
BO SHI WU TAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Poets Narcissus
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
波氏乌檀BO SHI WU TANPoets Narcissus
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN036410
Tcmid
15304
Pub Chem
5320036
Tcmbank
TCMBANKIN040611
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H14N2O3/c23-10-11-5-6-17(24)18-14(11)9-16-19-13(7-8-22(16)20(18)25)12-3-1-2-4-15(12)21-19/h1-6,9-10,21,24H,7-8H2
Mol Wt
330.343
Mol Log P
3.224000000000001
In Ch Ikey
LVMGFLUBFFLCIP-UHFFFAOYSA-N
Tcm Name
波氏乌檀
Tcm Name2
BO SHI WU TAN
Mol2 Path
/TCM_database/2007_3d_all/15312.mol2
Reference
2178
Num Hdonors
2
Tcm Name En
Poets Narcissus
Drug Likeness
0.526
Num Hacceptors
4
Isomeric Smiles
C1CN2C(=CC3=C(C=CC(=C3C2=O)O)C=O)C4=C1C5=CC=CC=C5N4
Canonical Smiles
C1CN2C(=CC3=C(C=CC(=C3C2=O)O)C=O)C4=C1C5=CC=CC=C5N4
Molecular Formula
C20H14N2O3
Num Rotatable Bonds
1