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
- 25016
- Core Entity Id
- 31000
- Source Entity Count
- 1
- Preferred Name
- Luotonin c
- Name En
- Pubchem Id
- 102369825
- Smiles Canonical
- CC1=CC2=NC=CC3=C2N(C1=O)C4=C3C=CC(=C4)OC
- Molecular Formula
- C16H12N2O2
- Molecular Weight
- 264.2840
- Inchikey
- SSJVLBBMZMJFSN-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H12N2O2/c1-9-7-13-15-12(5-6-17-13)11-4-3-10(20-2)8-14(11)18(15)16(9)19/h3-8H,1-2H3
- Isomeric Smiles
- CC1=CC2=NC=CC3=C2N(C1=O)C4=C3C=CC(=C4)OC
- Cas Id
- Ob Score
- Mol Logp
- 2.7557
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5310
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Luotonin c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Luotonin c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
luotonin c
Role
preferred
Source
TCMBank
Preferred
Yes
Name
261948-33-8
Role
alias
Source
HERB_v2
Preferred
No
Name
261948-33-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
9-Methoxy-5-methyl-6H-indolo[3,2,1-de][1,5]naphthyridin-6-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
9-Methoxy-5-methyl-6H-indolo[3,2,1-de][1,5]naphthyridin-6-one
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL4062519
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL4062519
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID601182803
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID601182803
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
261948-33-89-Methoxy-5-methyl-6H-indolo[3,2,1-de][1,5]naphthyridin-6-oneCHEMBL4062519DTXSID601182803
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN033726
Npass
NPC268910
Tcmid
13079
Pub Chem
102369825
Tcmbank
TCMBANKIN045588
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H12N2O2/c1-9-7-13-15-12(5-6-17-13)11-4-3-10(20-2)8-14(11)18(15)16(9)19/h3-8H,1-2H3
Mol Wt
264.284
Smiles
CC1=CC2=NC=CC3=C2N(C1=O)C4=C3C=CC(=C4)OC
Mol Log P
2.75572
In Ch Ikey
SSJVLBBMZMJFSN-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/13086.mol2
Reference
3945
Num Hdonors
0
Drug Likeness
0.531
Num Hacceptors
4
Isomeric Smiles
CC1=CC2=NC=CC3=C2N(C1=O)C4=C3C=CC(=C4)OC
Canonical Smiles
CC1=CC2=NC=CC3=C2N(C1=O)C4=C3C=CC(=C4)OC
Herb Alias Names
CHEMBL4062519DTXSID6011828039-Methoxy-5-methyl-6H-indolo[3,2,1-de][1,5]naphthyridin-6-one261948-33-8
Molecular Weight
264.28 g/mol
Molecular Formula
C16H12N2O2
Molecular Formula
C16H12N2O2
Num Rotatable Bonds
1