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
- 12892
- Core Entity Id
- 17500
- Source Entity Count
- 1
- Preferred Name
- Boeravinone f
- Name En
- Pubchem Id
- 12004175
- Smiles Canonical
- CC1=C(C2=C(C=C1O)OC3=C(C2=O)C4=C(C=C(C=C4)O)OC3=O)O
- Molecular Formula
- C17H10O7
- Molecular Weight
- 326.2600
- Inchikey
- IRFJPHPNKCAISA-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H10O7/c1-6-9(19)5-11-13(14(6)20)15(21)12-8-3-2-7(18)4-10(8)24-17(22)16(12)23-11/h2-5,18-20H,1H3
- Isomeric Smiles
- CC1=C(C2=C(C=C1O)OC3=C(C2=O)C4=C(C=C(C=C4)O)OC3=O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.4778
- Num H Donors
- 3
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.2580
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Boeravinone F
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Boeravinone f
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Boeravinone f
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
黄细心
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HUANG XI XIN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Diffuse Boerhavia
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
137810-40-3
Role
alias
Source
HERB_v2
Preferred
No
Name
137810-40-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,9,11-trihydroxy-10-methylchromeno(3,4-b)chromene-6,12-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,9,11-trihydroxy-10-methylchromeno(3,4-b)chromene-6,12-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL496644
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL496644
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
黄细心HUANG XI XINDiffuse Boerhavia137810-40-33,9,11-trihydroxy-10-methylchromeno(3,4-b)chromene-6,12-dioneCHEMBL496644
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN018709
Npass
NPC59647
Tcmid
2537
Pub Chem
12004175
Tcmbank
TCMBANKIN045894
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H10O7/c1-6-9(19)5-11-13(14(6)20)15(21)12-8-3-2-7(18)4-10(8)24-17(22)16(12)23-11/h2-5,18-20H,1H3
Mol Wt
326.26
Mol Log P
2.477820000000001
In Ch Ikey
IRFJPHPNKCAISA-UHFFFAOYSA-N
Tcm Name
黄细心
Tcm Name2
HUANG XI XIN
Mol2 Path
/TCM_database/2007_3d_all/02537.mol2
Reference
660
Num Hdonors
3
Tcm Name En
Diffuse Boerhavia
Drug Likeness
0.258
Num Hacceptors
7
Isomeric Smiles
CC1=C(C2=C(C=C1O)OC3=C(C2=O)C4=C(C=C(C=C4)O)OC3=O)O
Canonical Smiles
CC1=C(C2=C(C=C1O)OC3=C(C2=O)C4=C(C=C(C=C4)O)OC3=O)O
Herb Alias Names
3,9,11-trihydroxy-10-methylchromeno(3,4-b)chromene-6,12-dione3,9,11-trihydroxy-10-methylchromeno[3,4-b]chromene-6,12-dioneCHEMBL496644137810-40-3
Molecular Weight
326.26 g/mol
Molecular Formula
C17H10O7
Num Rotatable Bonds
0