Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 27171
- Core Entity Id
- 33387
- Source Entity Count
- 1
- Preferred Name
- Naucleamide b
- Name En
- Pubchem Id
- 12047479
- Smiles Canonical
- CC=C(CO)C1CC2C3=C(CCN2C(=O)C1CO)C4=CC=CC=C4N3
- Molecular Formula
- C20H24N2O3
- Molecular Weight
- 340.4230
- Inchikey
- AXTRBQOMEOBKOZ-JZRRNWMXSA-N
- Inchi
- InChI=1S/C20H24N2O3/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/h2-6,15-16,18,21,23-24H,7-11H2,1H3/b12-2+/t15-,16+,18-/m0/s1
- Isomeric Smiles
- C/C=C(\CO)/[C@@H]1C[C@H]2C3=C(CCN2C(=O)[C@@H]1CO)C4=CC=CC=C4N3
- Cas Id
- Ob Score
- Mol Logp
- 2.1607
- Num H Donors
- 3
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7500
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Naucleamide B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Naucleamide B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Naucleamide b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Naucleamide b
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
Name
Naucleamide A
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Naucleamide a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
naucleamide a
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
宽叶乌檀KUAN YE WU TANBroadleaf Fatheadtree*Naucleamide A
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN036391HBIN036390
Npass
NPC35170
Tcmid
1528515284
Pub Chem
1204747912047478
Tcmbank
TCMBANKIN048061TCMBANKIN049211
Etcm Ingredient
Naucleamide BNaucleamide A
Itcmdb Generated
ITX-INGREDIENT-84FEF09B3C47ITX-INGREDIENT-612AC8E4E069
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H24N2O3/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/h2-6,15-16,18,21,23-24H,7-11H2,1H3/b12-2+/t15-,16+,18-/m0/s1
Mol Wt
340.423
Smiles
CC=C(CO)C1CC2C3=C(CCN2C(=O)C1CO)C4=CC=CC=C4N3
Mol Log P
2.1607
In Ch Ikey
AXTRBQOMEOBKOZ-JZRRNWMXSA-N
Tcm Name
宽叶乌檀
Tcm Name2
KUAN YE WU TAN
Mol2 Path
/TCM_database/2007_3d_all/15293.mol2
Reference
4303
Num Hdonors
3
Tcm Name En
Broadleaf Fatheadtree*
Drug Likeness
0.75
Num Hacceptors
3
Isomeric Smiles
C/C=C(\CO)/[C@@H]1C[C@H]2C3=C(CCN2C(=O)[C@@H]1CO)C4=CC=CC=C4N3
Canonical Smiles
CC=C(CO)C1CC2C3=C(CCN2C(=O)C1CO)C4=CC=CC=C4N3
Molecular Weight
340.180
Molecular Weight
340.4 g/mol
Molecular Formula
C20H24N2O3
Molecular Formula
C20H24N2O3
Molecular Formula
C20H24N2O3
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.972
Quantitative Estimate Of Drug Likeness（Qed）
0.750