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
- 14792
- Core Entity Id
- 19606
- Source Entity Count
- 1
- Preferred Name
- Citrusinine i
- Name En
- Pubchem Id
- 5487772
- Smiles Canonical
- CN1C2=C(C=CC=C2O)C(=O)C3=C1C(=C(C=C3O)OC)OC
- Molecular Formula
- C16H15NO5
- Molecular Weight
- 301.2980
- Inchikey
- UTEAJHNFBCLZHN-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H15NO5/c1-17-13-8(5-4-6-9(13)18)15(20)12-10(19)7-11(21-2)16(22-3)14(12)17/h4-7,18-19H,1-3H3
- Isomeric Smiles
- CN1C2=C(C=CC=C2O)C(=O)C3=C1C(=C(C=C3O)OC)OC
- Cas Id
- Ob Score
- Mol Logp
- 2.1201
- Num H Donors
- 2
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7090
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Citrusinine I
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Citrusinine I
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Citrusinine i
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Citrusinine i
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
东风橘根
Role
TCM_name
Source
TCMBank
Preferred
No
Name
DONG FENG JU GEN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Boxleaf Atalantia Root
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
1,5-DIHYDROXY-3,4-DIMETHOXY-10-METHYL-9,10-DIHYDROACRIDIN-9-ONE
Role
alias
Source
HERB_v2
Preferred
No
Name
1,5-DIHYDROXY-3,4-DIMETHOXY-10-METHYL-9,10-DIHYDROACRIDIN-9-ONE
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,5-Dihydroxy-3,4-dimethoxy-10-methyl-9(10H)-Acridinone
Role
alias
Source
HERB_v2
Preferred
No
Name
1,5-Dihydroxy-3,4-dimethoxy-10-methyl-9(10H)-Acridinone
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,5-Dihydroxy-3,4-dimethoxy-10-methylacridone
Role
alias
Source
HERB_v2
Preferred
No
Name
1,5-Dihydroxy-3,4-dimethoxy-10-methylacridone
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,5-dihydroxy-3,4-dimethoxy-10-methylacridin-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,5-dihydroxy-3,4-dimethoxy-10-methylacridin-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
86680-32-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
86680-32-2
Role
alias
Source
HERB_v2
Preferred
No
Name
9(10H)-Acridinone, 1,5-dihydroxy-3,4-dimethoxy-10-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
9(10H)-Acridinone, 1,5-dihydroxy-3,4-dimethoxy-10-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL451705
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL451705
Role
alias
Source
itcmdb_public
Preferred
No
Name
Citrusinine-I
Role
alias
Source
itcmdb_public
Preferred
No
Name
Citrusinine-I
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID10235760
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID10235760
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
东风橘根DONG FENG JU GENBoxleaf Atalantia Root1,5-DIHYDROXY-3,4-DIMETHOXY-10-METHYL-9,10-DIHYDROACRIDIN-9-ONE1,5-Dihydroxy-3,4-dimethoxy-10-methyl-9(10H)-Acridinone1,5-Dihydroxy-3,4-dimethoxy-10-methylacridone1,5-dihydroxy-3,4-dimethoxy-10-methylacridin-9-one86680-32-29(10H)-Acridinone, 1,5-dihydroxy-3,4-dimethoxy-10-methyl-CHEMBL451705Citrusinine-IDTXSID10235760
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021017
Npass
NPC148391
Tcmid
3777
Pub Chem
5487772
Tcmbank
TCMBANKIN036957
Etcm Ingredient
Citrusinine I
Itcmdb Generated
ITX-INGREDIENT-3BAE80CA1D44
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H15NO5/c1-17-13-8(5-4-6-9(13)18)15(20)12-10(19)7-11(21-2)16(22-3)14(12)17/h4-7,18-19H,1-3H3
Mol Wt
301.298
Mol Log P
2.1201
In Ch Ikey
UTEAJHNFBCLZHN-UHFFFAOYSA-N
Tcm Name
东风橘根
Tcm Name2
DONG FENG JU GEN
Mol2 Path
/TCM_database/2007_3d_all/03777.mol2
Reference
3075
Num Hdonors
2
Tcm Name En
Boxleaf Atalantia Root
Drug Likeness
0.709
Num Hacceptors
6
Isomeric Smiles
CN1C2=C(C=CC=C2O)C(=O)C3=C1C(=C(C=C3O)OC)OC
Canonical Smiles
CN1C2=C(C=CC=C2O)C(=O)C3=C1C(=C(C=C3O)OC)OC
Herb Alias Names
Citrusinine-I86680-32-29(10H)-Acridinone, 1,5-dihydroxy-3,4-dimethoxy-10-methyl-1,5-dihydroxy-3,4-dimethoxy-10-methylacridin-9-oneCHEMBL451705DTXSID102357601,5-Dihydroxy-3,4-dimethoxy-10-methylacridone1,5-Dihydroxy-3,4-dimethoxy-10-methyl-9(10H)-Acridinone1,5-DIHYDROXY-3,4-DIMETHOXY-10-METHYL-9,10-DIHYDROACRIDIN-9-ONE
Molecular Weight
301.100
Molecular Weight
301.29 g/mol
Molecular Formula
C16H15NO5
Molecular Formula
C16H15NO5
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.847
Quantitative Estimate Of Drug Likeness（Qed）
0.709