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
- 27191
- Core Entity Id
- 33409
- Source Entity Count
- 1
- Preferred Name
- Naufoline
- Name En
- Pubchem Id
- 101223026
- Smiles Canonical
- C1CN2C=CC3=C(CC2C4=C1C5=CC=CC=C5N4)C=CN=C3
- Molecular Formula
- C19H17N3
- Molecular Weight
- 287.3660
- Inchikey
- FEVMCYVRGKTEFP-SFHVURJKSA-N
- Inchi
- InChI=1S/C19H17N3/c1-2-4-17-15(3-1)16-7-10-22-9-6-14-12-20-8-5-13(14)11-18(22)19(16)21-17/h1-6,8-9,12,18,21H,7,10-11H2/t18-/m0/s1
- Isomeric Smiles
- C1CN2C=CC3=C(C[C@H]2C4=C1C5=CC=CC=C5N4)C=CN=C3
- Cas Id
- Ob Score
- Mol Logp
- 3.6891
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6840
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Naufoline
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Naufoline
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Naufoline
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Naufoline
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
宽叶乌檀
Role
TCM_name
Source
TCMBank
Preferred
No
Name
KUAN YE WU TAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Broadleaf Fatheadtree*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
宽叶乌檀KUAN YE WU TANBroadleaf Fatheadtree*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN036413
Tcmid
15307
Pub Chem
101223026
Tcmbank
TCMBANKIN037850
Etcm Ingredient
Naufoline
Itcmdb Generated
ITX-INGREDIENT-9EB4454AD804
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H17N3/c1-2-4-17-15(3-1)16-7-10-22-9-6-14-12-20-8-5-13(14)11-18(22)19(16)21-17/h1-6,8-9,12,18,21H,7,10-11H2/t18-/m0/s1
Mol Wt
287.366
Mol Log P
3.689100000000002
In Ch Ikey
FEVMCYVRGKTEFP-SFHVURJKSA-N
Tcm Name
宽叶乌檀
Tcm Name2
KUAN YE WU TAN
Mol2 Path
/TCM_database/2007_3d_all/15315.mol2
Reference
2178, 1521
Num Hdonors
1
Tcm Name En
Broadleaf Fatheadtree*
Drug Likeness
0.684
Num Hacceptors
2
Isomeric Smiles
C1CN2C=CC3=C(C[C@H]2C4=C1C5=CC=CC=C5N4)C=CN=C3
Canonical Smiles
C1CN2C=CC3=C(CC2C4=C1C5=CC=CC=C5N4)C=CN=C3
Molecular Weight
287.140
Molecular Weight
287.4 g/mol
Molecular Formula
C19H17N3
Molecular Formula
C19H17N3
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.956
Quantitative Estimate Of Drug Likeness（Qed）
0.684