Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 14761
- Core Entity Id
- 19571
- Source Entity Count
- 1
- Preferred Name
- Citbrasine
- Name En
- Pubchem Id
- 19093029
- Smiles Canonical
- CN1C2=C(C=CC=C2O)C(=O)C3=C1C(=C(C(=C3O)OC)OC)OC
- Molecular Formula
- C17H17NO6
- Molecular Weight
- 331.3240
- Inchikey
- QYPQTPVQPNLXHV-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H17NO6/c1-18-11-8(6-5-7-9(11)19)13(20)10-12(18)15(22-2)17(24-4)16(23-3)14(10)21/h5-7,19,21H,1-4H3
- Isomeric Smiles
- CN1C2=C(C=CC=C2O)C(=O)C3=C1C(=C(C(=C3O)OC)OC)OC
- Cas Id
- 86680-34-4
- Ob Score
- Mol Logp
- 2.1287
- Num H Donors
- 2
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7150
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Citbrasine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Citbrasine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
citbrasine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,5-Dihydroxy-2,3,4-trimethoxy-10-methylacridone
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,5-Dihydroxy-2,3,4-trimethoxy-10-methylacridone
Role
alias
Source
HERB_v2
Preferred
No
Name
86680-34-4
Role
alias
Source
HERB_v2
Preferred
No
Name
86680-34-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM50336482
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM50336482
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1668599
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1668599
Role
alias
Source
HERB_v2
Preferred
No
Name
Citibrasine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Citibrasine
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID401192210
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID401192210
Role
alias
Source
itcmdb_public
Preferred
No
Name
GTPL8561
Role
alias
Source
itcmdb_public
Preferred
No
Name
GTPL8561
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL9352197
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL9352197
Role
alias
Source
HERB_v2
Preferred
No
Name
compound 7 [PMID: 21277783]
Role
alias
Source
HERB_v2
Preferred
No
Name
compound 7 [PMID: 21277783]
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,5-Dihydroxy-2,3,4-trimethoxy-10-methylacridone86680-34-4BDBM50336482CHEMBL1668599CitibrasineDTXSID401192210GTPL8561SCHEMBL9352197compound 7 [PMID: 21277783]
Cross References
Trusted external identifiers retained for this final record.
Cas
86680-34-4
Herb
HBIN020974
Npass
NPC76478
Tcm Id
5614
Pub Chem
19093029
Tcmbank
TCMBANKIN022717
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H17NO6/c1-18-11-8(6-5-7-9(11)19)13(20)10-12(18)15(22-2)17(24-4)16(23-3)14(10)21/h5-7,19,21H,1-4H3
Mol Wt
331.324
Cas Id
86680-34-4
Smiles
CN1C2=C(C=CC=C2O)C(=O)C3=C1C(=C(C(=C3O)OC)OC)OC
Mol Log P
2.128699999999999
In Ch Ikey
QYPQTPVQPNLXHV-UHFFFAOYSA-N
Num Hdonors
2
Drug Likeness
0.715
Num Hacceptors
7
Isomeric Smiles
CN1C2=C(C=CC=C2O)C(=O)C3=C1C(=C(C(=C3O)OC)OC)OC
Canonical Smiles
CN1C2=C(C=CC=C2O)C(=O)C3=C1C(=C(C(=C3O)OC)OC)OC
Herb Alias Names
CitibrasineCHEMBL1668599GTPL8561SCHEMBL9352197DTXSID401192210BDBM50336482compound 7 [PMID: 21277783]86680-34-41,5-Dihydroxy-2,3,4-trimethoxy-10-methylacridone
Molecular Weight
331.32
Molecular Formula
C17H17NO6
Molecular Formula
C17H17NO6
Num Rotatable Bonds
3