Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 14793
- Core Entity Id
- 19607
- Source Entity Count
- 1
- Preferred Name
- Citrusinine ii
- Name En
- Pubchem Id
- 10016895
- Smiles Canonical
- CN1C2=C(C=CC=C2O)C(=O)C3=C1C(=C(C=C3O)O)OC
- Molecular Formula
- C15H13NO5
- Molecular Weight
- 287.2710
- Inchikey
- QEGXAAUCDUFHPJ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H13NO5/c1-16-12-7(4-3-5-8(12)17)14(20)11-9(18)6-10(19)15(21-2)13(11)16/h3-6,17-19H,1-2H3
- Isomeric Smiles
- CN1C2=C(C=CC=C2O)C(=O)C3=C1C(=C(C=C3O)O)OC
- Cas Id
- Ob Score
- Mol Logp
- 1.8171
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5940
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Citrusinine II
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Citrusinine ii
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Citrusinine ii
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
citrusinine ii
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,3,5-TRIHYDROXY-4-METHOXY-10-METHYLACRIDIN-9-ONE
Role
alias
Source
HERB_v2
Preferred
No
Name
1,3,5-TRIHYDROXY-4-METHOXY-10-METHYLACRIDIN-9-ONE
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,3,5-trihydroxy-4-methoxy-10-methylacridone
Role
alias
Source
HERB_v2
Preferred
No
Name
1,3,5-trihydroxy-4-methoxy-10-methylacridone
Role
alias
Source
itcmdb_public
Preferred
No
Name
86680-33-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
86680-33-3
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM50336480
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM50336480
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:230775
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:230775
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL465847
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL465847
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID201211167
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID201211167
Role
alias
Source
itcmdb_public
Preferred
No
Name
GTPL11377
Role
alias
Source
itcmdb_public
Preferred
No
Name
GTPL11377
Role
alias
Source
HERB_v2
Preferred
No
Name
citrusinine-II
Role
alias
Source
HERB_v2
Preferred
No
Name
citrusinine-II
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,3,5-TRIHYDROXY-4-METHOXY-10-METHYLACRIDIN-9-ONE1,3,5-trihydroxy-4-methoxy-10-methylacridone86680-33-3BDBM50336480CHEBI:230775CHEMBL465847DTXSID201211167GTPL11377citrusinine-II
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021018
Npass
NPC2905
Tcmid
3778
Pub Chem
10016895
Tcmbank
TCMBANKIN044022
Etcm Ingredient
Citrusinine II
Itcmdb Generated
ITX-INGREDIENT-F35F90B9B58A
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H13NO5/c1-16-12-7(4-3-5-8(12)17)14(20)11-9(18)6-10(19)15(21-2)13(11)16/h3-6,17-19H,1-2H3
Mol Wt
287.271
Smiles
CN1C2=C(C=CC=C2O)C(=O)C3=C1C(=C(C=C3O)O)OC
Mol Log P
1.817099999999999
In Ch Ikey
QEGXAAUCDUFHPJ-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/03778.mol2
Reference
3075
Num Hdonors
3
Drug Likeness
0.594
Num Hacceptors
6
Isomeric Smiles
CN1C2=C(C=CC=C2O)C(=O)C3=C1C(=C(C=C3O)O)OC
Canonical Smiles
CN1C2=C(C=CC=C2O)C(=O)C3=C1C(=C(C=C3O)O)OC
Herb Alias Names
citrusinine-IICHEMBL4658471,3,5-trihydroxy-4-methoxy-10-methylacridone1,3,5-TRIHYDROXY-4-METHOXY-10-METHYLACRIDIN-9-ONE86680-33-3GTPL11377CHEBI:230775DTXSID201211167BDBM50336480
Molecular Weight
287.080
Molecular Weight
287.27 g/mol
Molecular Formula
C15H13NO5
Molecular Formula
C15H13NO5
Molecular Formula
C15H13NO5
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.887
Quantitative Estimate Of Drug Likeness（Qed）
0.594