Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 12889
- Core Entity Id
- 17496
- Source Entity Count
- 1
- Preferred Name
- Boeravinone c
- Name En
- Pubchem Id
- 13940641
- Smiles Canonical
- CC1=C(C=C2C(=C1O)C(=O)C3(C(O2)COC4=C3C=CC=C4O)O)OC
- Molecular Formula
- C18H16O7
- Molecular Weight
- 344.3190
- Inchikey
- ZVSXALWTWGTZSP-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H16O7/c1-8-11(23-2)6-12-14(15(8)20)17(21)18(22)9-4-3-5-10(19)16(9)24-7-13(18)25-12/h3-6,13,19-20,22H,7H2,1-2H3
- Isomeric Smiles
- CC1=C(C=C2C(=C1O)C(=O)C3(C(O2)COC4=C3C=CC=C4O)O)OC
- Cas Id
- Ob Score
- Mol Logp
- 1.6387
- Num H Donors
- 3
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7220
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Boeravinone C
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Boeravinone c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Boeravinone c
Role
preferred
Source
itcmdb_public
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
4,11,12a-Trihydroxy-9-methoxy-10-methylrotenone
Role
alias
Source
HERB_v2
Preferred
No
Name
4,11,12a-Trihydroxy-9-methoxy-10-methylrotenone
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12060046
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12060046
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL3318632
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL3318632
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
黄细心HUANG XI XINDiffuse Boerhavia4,11,12a-Trihydroxy-9-methoxy-10-methylrotenoneLMPK12060046SCHEMBL3318632
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN018706
Tcmid
2534
Pub Chem
1394064113940643
Tcmbank
TCMBANKIN049918
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H16O7/c1-8-11(23-2)6-12-14(15(8)20)17(21)18(22)9-4-3-5-10(19)16(9)24-7-13(18)25-12/h3-6,13,19-20,22H,7H2,1-2H3
Mol Wt
344.319
Mol Log P
1.63872
In Ch Ikey
ZVSXALWTWGTZSP-UHFFFAOYSA-N
Tcm Name
黄细心
Tcm Name2
HUANG XI XIN
Mol2 Path
/TCM_database/2007_3d_all/02534.mol2
Reference
660
Num Hdonors
3
Tcm Name En
Diffuse Boerhavia
Drug Likeness
0.722
Num Hacceptors
7
Isomeric Smiles
CC1=C(C=C2C(=C1O)C(=O)C3(C(O2)COC4=C3C=CC=C4O)O)OC
Canonical Smiles
CC1=C(C=C2C(=C1O)C(=O)C3(C(O2)COC4=C3C=CC=C4O)O)OC
Herb Alias Names
4,11,12a-Trihydroxy-9-methoxy-10-methylrotenoneSCHEMBL3318632LMPK12060046
Molecular Weight
344.3 g/mol
Molecular Formula
C18H16O7
Num Rotatable Bonds
1