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
- 27173
- Core Entity Id
- 33389
- Source Entity Count
- 1
- Preferred Name
- Naucleamide d
- Name En
- Pubchem Id
- 11035072
- Smiles Canonical
- CC=C(CO)C1=C(C(=O)N2CCC3=C(C2=C1)NC4=CC=CC=C34)CO
- Molecular Formula
- C20H20N2O3
- Molecular Weight
- 336.3910
- Inchikey
- FIELJMSNCWUFSW-OIXVIMQBSA-N
- Inchi
- InChI=1S/C20H20N2O3/c1-2-12(10-23)15-9-18-19-14(13-5-3-4-6-17(13)21-19)7-8-22(18)20(25)16(15)11-24/h2-6,9,21,23-24H,7-8,10-11H2,1H3/b12-2-
- Isomeric Smiles
- C/C=C(/CO)\C1=C(C(=O)N2CCC3=C(C2=C1)NC4=CC=CC=C34)CO
- Cas Id
- Ob Score
- Mol Logp
- 2.4406
- Num H Donors
- 3
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.6870
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Naucleamide D
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Naucleamide D
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Naucleamide d
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Naucleamide d
Role
preferred
Source
HERB_v2
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
HBIN036393
Npass
NPC179251
Tcmid
15287
Pub Chem
11035072
Tcmbank
TCMBANKIN043299
Etcm Ingredient
Naucleamide D
Itcmdb Generated
ITX-INGREDIENT-B143D6DF91E6
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H20N2O3/c1-2-12(10-23)15-9-18-19-14(13-5-3-4-6-17(13)21-19)7-8-22(18)20(25)16(15)11-24/h2-6,9,21,23-24H,7-8,10-11H2,1H3/b12-2-
Mol Wt
336.391
Mol Log P
2.440600000000001
In Ch Ikey
FIELJMSNCWUFSW-OIXVIMQBSA-N
Tcm Name
宽叶乌檀
Tcm Name2
KUAN YE WU TAN
Mol2 Path
/TCM_database/2007_3d_all/15295.mol2
Reference
4303
Num Hdonors
3
Tcm Name En
Broadleaf Fatheadtree*
Drug Likeness
0.687
Num Hacceptors
4
Isomeric Smiles
C/C=C(/CO)\C1=C(C(=O)N2CCC3=C(C2=C1)NC4=CC=CC=C34)CO
Canonical Smiles
CC=C(CO)C1=C(C(=O)N2CCC3=C(C2=C1)NC4=CC=CC=C34)CO
Molecular Weight
336.150
Molecular Weight
336.4 g/mol
Molecular Formula
C20H20N2O3
Molecular Formula
C20H20N2O3
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.877
Quantitative Estimate Of Drug Likeness（Qed）
0.687