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
- 27184
- Core Entity Id
- 33401
- Source Entity Count
- 1
- Preferred Name
- Nauclefoline
- Name En
- Pubchem Id
- 54714261
- Smiles Canonical
- CC1C(=C2C(=CO1)C=C3C4=C(CCN3C2=O)C5=CC=CC=C5N4)O
- Molecular Formula
- C19H16N2O3
- Molecular Weight
- 320.3480
- Inchikey
- QAYZAVAIQRMIJH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C19H16N2O3/c1-10-18(22)16-11(9-24-10)8-15-17-13(6-7-21(15)19(16)23)12-4-2-3-5-14(12)20-17/h2-5,8-10,20,22H,6-7H2,1H3
- Isomeric Smiles
- CC1C(=C2C(=CO1)C=C3C4=C(CCN3C2=O)C5=CC=CC=C5N4)O
- Cas Id
- Ob Score
- Mol Logp
- 1.3756
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6570
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Nauclefoline
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Nauclefoline
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Nauclefoline
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Nauclefoline
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
HBIN036404
Npass
NPC198712
Tcmid
15298
Pub Chem
54714261
Tcmbank
TCMBANKIN041798
Etcm Ingredient
Nauclefoline
Itcmdb Generated
ITX-INGREDIENT-196982A0DEF8
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H16N2O3/c1-10-18(22)16-11(9-24-10)8-15-17-13(6-7-21(15)19(16)23)12-4-2-3-5-14(12)20-17/h2-5,8-10,20,22H,6-7H2,1H3
Mol Wt
320.348
Mol Log P
1.3756
In Ch Ikey
QAYZAVAIQRMIJH-UHFFFAOYSA-N
Tcm Name
胆木
Tcm Name2
DAN MU
Mol2 Path
/TCM_database/2007_3d_all/15306.mol2
Reference
2178, 1521
Num Hdonors
2
Tcm Name En
Medicinal Fatheadtree
Drug Likeness
0.657
Num Hacceptors
4
Isomeric Smiles
CC1C(=C2C(=CO1)C=C3C4=C(CCN3C2=O)C5=CC=CC=C5N4)O
Canonical Smiles
CC1C(=C2C(=CO1)C=C3C4=C(CCN3C2=O)C5=CC=CC=C5N4)O
Molecular Weight
320.120
Molecular Weight
320.3 g/mol
Molecular Formula
C19H16N2O3
Molecular Formula
C19H16N2O3
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.837
Quantitative Estimate Of Drug Likeness（Qed）
0.692