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
- 27190
- Core Entity Id
- 33408
- Source Entity Count
- 1
- Preferred Name
- Nauclexine
- Name En
- Pubchem Id
- 608079
- Smiles Canonical
- C1CNCC(C2=CC(=CN=C2)C(=O)C3=C1C4=CC=CC=C4N3)O
- Molecular Formula
- C18H17N3O2
- Molecular Weight
- 307.3530
- Inchikey
- VHXXSFCTDCAIPR-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H17N3O2/c22-16-10-19-6-5-14-13-3-1-2-4-15(13)21-17(14)18(23)12-7-11(16)8-20-9-12/h1-4,7-9,16,19,21-22H,5-6,10H2
- Isomeric Smiles
- C1CNCC(C2=CC(=CN=C2)C(=O)C3=C1C4=CC=CC=C4N3)O
- Cas Id
- Ob Score
- Mol Logp
- 1.9730
- Num H Donors
- 3
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5930
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Nauclexine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Nauclexine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Nauclexine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
迪氏乌檀
Role
TCM_name
Source
TCMBank
Preferred
No
Name
DI SHI WU TAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Diderrichi Fatheadtree*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
11H-6,10-Metheno[1,6]diazacyclotridecino[10,9-b]indol-11-one, 1,2,3,4,5,12-hexahydro-5-hydroxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
11H-6,10-Metheno[1,6]diazacyclotridecino[10,9-b]indol-11-one, 1,2,3,4,5,12-hexahydro-5-hydroxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
VHXXSFCTDCAIPR-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
VHXXSFCTDCAIPR-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
迪氏乌檀DI SHI WU TANDiderrichi Fatheadtree*11H-6,10-Metheno[1,6]diazacyclotridecino[10,9-b]indol-11-one, 1,2,3,4,5,12-hexahydro-5-hydroxy-VHXXSFCTDCAIPR-UHFFFAOYSA-N
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN036412
Npass
NPC223274
Tcmid
15306
Pub Chem
608079
Tcmbank
TCMBANKIN040927
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H17N3O2/c22-16-10-19-6-5-14-13-3-1-2-4-15(13)21-17(14)18(23)12-7-11(16)8-20-9-12/h1-4,7-9,16,19,21-22H,5-6,10H2
Mol Wt
307.353
Mol Log P
1.973
In Ch Ikey
VHXXSFCTDCAIPR-UHFFFAOYSA-N
Tcm Name
迪氏乌檀
Tcm Name2
DI SHI WU TAN
Mol2 Path
/TCM_database/2007_3d_all/15314.mol2
Reference
2178, 1521
Num Hdonors
3
Tcm Name En
Diderrichi Fatheadtree*
Drug Likeness
0.593
Num Hacceptors
4
Isomeric Smiles
C1CNCC(C2=CC(=CN=C2)C(=O)C3=C1C4=CC=CC=C4N3)O
Canonical Smiles
C1CNCC(C2=CC(=CN=C2)C(=O)C3=C1C4=CC=CC=C4N3)O
Herb Alias Names
VHXXSFCTDCAIPR-UHFFFAOYSA-N11H-6,10-Metheno[1,6]diazacyclotridecino[10,9-b]indol-11-one, 1,2,3,4,5,12-hexahydro-5-hydroxy-
Molecular Weight
307.3 g/mol
Molecular Formula
C18H17N3O2
Num Rotatable Bonds
0