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: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 27180
- Core Entity Id
- 33397
- Source Entity Count
- 1
- Preferred Name
- Naucleficine
- Name En
- Pubchem Id
- 5320030
- Smiles Canonical
- C1CN2C(=CC3=C(C=CC=C3C2=O)C=O)C4=C1C5=CC=CC=C5N4
- Molecular Formula
- C20H14N2O2
- Molecular Weight
- 314.3440
- Inchikey
- JLSINLYSAIUQQH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H14N2O2/c23-11-12-4-3-6-15-16(12)10-18-19-14(8-9-22(18)20(15)24)13-5-1-2-7-17(13)21-19/h1-7,10-11,21H,8-9H2
- Isomeric Smiles
- C1CN2C(=CC3=C(C=CC=C3C2=O)C=O)C4=C1C5=CC=CC=C5N4
- Cas Id
- Ob Score
- Mol Logp
- 3.5184
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5470
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Naucleficine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Naucleficine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Naucleficine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Naucleficine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
胆木
Role
TCM_name
Source
TCMBank
Preferred
No
Name
DAN MU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Medicinal Fatheadtree
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
胆木DAN MUMedicinal Fatheadtree
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN036400
Npass
NPC221897
Tcmid
15294
Tcm Id
2417
Pub Chem
5320030
Tcmbank
TCMBANKIN044095
Etcm Ingredient
Naucleficine
Itcmdb Generated
ITX-INGREDIENT-92DE49B69257
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H14N2O2/c23-11-12-4-3-6-15-16(12)10-18-19-14(8-9-22(18)20(15)24)13-5-1-2-7-17(13)21-19/h1-7,10-11,21H,8-9H2
Mol Wt
314.3439999999999
Mol Log P
3.518400000000002
In Ch Ikey
JLSINLYSAIUQQH-UHFFFAOYSA-N
Tcm Name
胆木
Tcm Name2
DAN MU
Mol2 Path
/TCM_database/2007_3d_all/15302.mol2
Reference
2178, 1521
Num Hdonors
1
Tcm Name En
Medicinal Fatheadtree
Drug Likeness
0.547
Num Hacceptors
3
Isomeric Smiles
C1CN2C(=CC3=C(C=CC=C3C2=O)C=O)C4=C1C5=CC=CC=C5N4
Canonical Smiles
C1CN2C(=CC3=C(C=CC=C3C2=O)C=O)C4=C1C5=CC=CC=C5N4
Molecular Weight
314.110
Molecular Weight
314.3 g/mol
Molecular Formula
C20H14N2O2
Molecular Formula
C20H14N2O2
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.895
Quantitative Estimate Of Drug Likeness（Qed）
0.547