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
- 25017
- Core Entity Id
- 31001
- Source Entity Count
- 1
- Preferred Name
- Luotonin d
- Name En
- Pubchem Id
- 102369826
- Smiles Canonical
- CCC1=CC2=NC=CC3=C2N(C1=O)C4=C3C=CC(=C4)OC
- Molecular Formula
- C17H14N2O2
- Molecular Weight
- 278.3110
- Inchikey
- KWPHZZGQGNWFCD-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H14N2O2/c1-3-10-8-14-16-13(6-7-18-14)12-5-4-11(21-2)9-15(12)19(16)17(10)20/h4-9H,3H2,1-2H3
- Isomeric Smiles
- CCC1=CC2=NC=CC3=C2N(C1=O)C4=C3C=CC(=C4)OC
- Cas Id
- Ob Score
- Mol Logp
- 3.0097
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.5660
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Luotonin D
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Luotonin d
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Luotonin d
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
骆驼蒿
Role
TCM_name
Source
TCMBank
Preferred
No
Name
LUO TUO HAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Little Peganum
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
骆驼蒿LUO TUO HAOLittle Peganum
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN033727
Npass
NPC45405
Tcmid
13080
Pub Chem
102369826
Tcmbank
TCMBANKIN046777
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H14N2O2/c1-3-10-8-14-16-13(6-7-18-14)12-5-4-11(21-2)9-15(12)19(16)17(10)20/h4-9H,3H2,1-2H3
Mol Wt
278.311
Mol Log P
3.009700000000001
In Ch Ikey
KWPHZZGQGNWFCD-UHFFFAOYSA-N
Tcm Name
骆驼蒿
Tcm Name2
LUO TUO HAO
Mol2 Path
/TCM_database/2007_3d_all/13087.mol2
Reference
3945
Num Hdonors
0
Tcm Name En
Little Peganum
Drug Likeness
0.566
Num Hacceptors
4
Isomeric Smiles
CCC1=CC2=NC=CC3=C2N(C1=O)C4=C3C=CC(=C4)OC
Canonical Smiles
CCC1=CC2=NC=CC3=C2N(C1=O)C4=C3C=CC(=C4)OC
Molecular Weight
278.3 g/mol
Molecular Formula
C17H14N2O2
Num Rotatable Bonds
2