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
- 27172
- Core Entity Id
- 33388
- Source Entity Count
- 1
- Preferred Name
- Naucleamide c
- Name En
- Pubchem Id
- 12047480
- Smiles Canonical
- CC=C1COC(=C2C1CC3C4=C(CCN3C2=O)C5=CC=CC=C5N4)O
- Molecular Formula
- C20H20N2O3
- Molecular Weight
- 336.3910
- Inchikey
- OLFCHDJEYWIHFJ-ZBDMSPNQSA-N
- Inchi
- InChI=1S/C20H20N2O3/c1-2-11-10-25-20(24)17-14(11)9-16-18-13(7-8-22(16)19(17)23)12-5-3-4-6-15(12)21-18/h2-6,14,16,21,24H,7-10H2,1H3/b11-2+/t14-,16-/m0/s1
- Isomeric Smiles
- C/C=C/1\COC(=C2[C@H]1C[C@H]3C4=C(CCN3C2=O)C5=CC=CC=C5N4)O
- Cas Id
- Ob Score
- Mol Logp
- 3.3597
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.7250
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Naucleamide C
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Naucleamide C
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Naucleamide c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Naucleamide c
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
HBIN036392
Npass
NPC140504
Tcmid
15286
Pub Chem
12047480
Tcmbank
TCMBANKIN040026
Etcm Ingredient
Naucleamide C
Itcmdb Generated
ITX-INGREDIENT-2EDBBDF87AF5
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H20N2O3/c1-2-11-10-25-20(24)17-14(11)9-16-18-13(7-8-22(16)19(17)23)12-5-3-4-6-15(12)21-18/h2-6,14,16,21,24H,7-10H2,1H3/b11-2+/t14-,16-/m0/s1
Mol Wt
336.391
Mol Log P
3.359700000000001
In Ch Ikey
OLFCHDJEYWIHFJ-ZBDMSPNQSA-N
Tcm Name
宽叶乌檀
Tcm Name2
KUAN YE WU TAN
Mol2 Path
/TCM_database/2007_3d_all/15294.mol2
Reference
4303
Num Hdonors
2
Tcm Name En
Broadleaf Fatheadtree*
Drug Likeness
0.725
Num Hacceptors
3
Isomeric Smiles
C/C=C/1\COC(=C2[C@H]1C[C@H]3C4=C(CCN3C2=O)C5=CC=CC=C5N4)O
Canonical Smiles
CC=C1COC(=C2C1CC3C4=C(CCN3C2=O)C5=CC=CC=C5N4)O
Molecular Weight
336.150
Molecular Weight
336.4 g/mol
Molecular Formula
C20H20N2O3
Molecular Formula
C20H20N2O3
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.980
Quantitative Estimate Of Drug Likeness（Qed）
0.457