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
- 27181
- Core Entity Id
- 33398
- Source Entity Count
- 1
- Preferred Name
- Nauclefidine
- Name En
- Pubchem Id
- 5320028
- Smiles Canonical
- C1CN2C(=O)C=CC(=C2C3=C1C4=CC=CC=C4N3)C=O
- Molecular Formula
- C16H12N2O2
- Molecular Weight
- 264.2840
- Inchikey
- BXGBDTXJOUEMMI-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H12N2O2/c19-9-10-5-6-14(20)18-8-7-12-11-3-1-2-4-13(11)17-15(12)16(10)18/h1-6,9,17H,7-8H2
- Isomeric Smiles
- C1CN2C(=O)C=CC(=C2C3=C1C4=CC=CC=C4N3)C=O
- Cas Id
- Ob Score
- Mol Logp
- 2.3652
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6860
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Nauclefidine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Nauclefidine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Nauclefidine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Nauclefidine
Role
preferred
Source
itcmdb_public
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
HBIN036401
Npass
NPC21343
Tcmid
15295
Pub Chem
5320028
Tcmbank
TCMBANKIN045830
Etcm Ingredient
Nauclefidine
Itcmdb Generated
ITX-INGREDIENT-9A850F8D8A62
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H12N2O2/c19-9-10-5-6-14(20)18-8-7-12-11-3-1-2-4-13(11)17-15(12)16(10)18/h1-6,9,17H,7-8H2
Mol Wt
264.284
Mol Log P
2.3652
In Ch Ikey
BXGBDTXJOUEMMI-UHFFFAOYSA-N
Tcm Name
胆木
Tcm Name2
DAN MU
Mol2 Path
/TCM_database/2007_3d_all/15303.mol2
Reference
2178, 1521
Num Hdonors
1
Tcm Name En
Medicinal Fatheadtree
Drug Likeness
0.686
Num Hacceptors
3
Isomeric Smiles
C1CN2C(=O)C=CC(=C2C3=C1C4=CC=CC=C4N3)C=O
Canonical Smiles
C1CN2C(=O)C=CC(=C2C3=C1C4=CC=CC=C4N3)C=O
Molecular Weight
264.090
Molecular Formula
C16H12N2O2
Molecular Formula
C16H12N2O2
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.816
Quantitative Estimate Of Drug Likeness（Qed）
0.686