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
- 33028
- Core Entity Id
- 39903
- Source Entity Count
- 1
- Preferred Name
- Selagin
- Name En
- Pubchem Id
- 11267045
- Smiles Canonical
- COC1=CC(=CC(=C1O)O)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
- Molecular Formula
- C16H12O7
- Molecular Weight
- 316.2650
- Inchikey
- UGPOBASOHYMNAK-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H12O7/c1-22-14-3-7(2-11(20)16(14)21)12-6-10(19)15-9(18)4-8(17)5-13(15)23-12/h2-6,17-18,20-21H,1H3
- Isomeric Smiles
- COC1=CC(=CC(=C1O)O)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.2910
- Num H Donors
- 4
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.5350
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Selagin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Selagin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Selagin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
小接筋草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
XIAO JIE JIN CAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Selago-like Climbing Fern
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-4h-chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-4h-chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3'-O-methyltricetin
Role
alias
Source
itcmdb_public
Preferred
No
Name
3'-O-methyltricetin
Role
alias
Source
HERB_v2
Preferred
No
Name
60303-28-8
Role
alias
Source
HERB_v2
Preferred
No
Name
60303-28-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:59976
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:59976
Role
alias
Source
HERB_v2
Preferred
No
Name
Tricetin 3'-methyl ether
Role
alias
Source
HERB_v2
Preferred
No
Name
Tricetin 3'-methyl ether
Role
alias
Source
itcmdb_public
Preferred
No
Name
selgin
Role
alias
Source
itcmdb_public
Preferred
No
Name
selgin
Role
alias
Source
HERB_v2
Preferred
No
Name
tricetin 3'-O-methyl ether
Role
alias
Source
HERB_v2
Preferred
No
Name
tricetin 3'-O-methyl ether
Role
alias
Source
itcmdb_public
Preferred
No
Name
tricetine 3'-O-methyl ether
Role
alias
Source
HERB_v2
Preferred
No
Name
tricetine 3'-O-methyl ether
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
小接筋草XIAO JIE JIN CAOSelago-like Climbing Fern2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-4h-chromen-4-one2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromen-4-one3'-O-methyltricetin60303-28-8CHEBI:59976Tricetin 3'-methyl etherselgintricetin 3'-O-methyl ethertricetine 3'-O-methyl ether
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN043636
Npass
NPC1587
Tcmid
19660
Pub Chem
11267045
Tcmbank
TCMBANKIN046236
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H12O7/c1-22-14-3-7(2-11(20)16(14)21)12-6-10(19)15-9(18)4-8(17)5-13(15)23-12/h2-6,17-18,20-21H,1H3
Mol Wt
316.265
Mol Log P
2.291000000000002
In Ch Ikey
UGPOBASOHYMNAK-UHFFFAOYSA-N
Tcm Name
小接筋草
Tcm Name2
XIAO JIE JIN CAO
Mol2 Path
/TCM_database/2007_3d_all/19675.mol2
Reference
660
Num Hdonors
4
Tcm Name En
Selago-like Climbing Fern
Drug Likeness
0.535
Num Hacceptors
7
Isomeric Smiles
COC1=CC(=CC(=C1O)O)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
Canonical Smiles
COC1=CC(=CC(=C1O)O)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
Herb Alias Names
3'-O-methyltricetinselgintricetin 3'-O-methyl ethertricetine 3'-O-methyl etherCHEBI:5997660303-28-82-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-4h-chromen-4-one2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromen-4-oneTricetin 3'-methyl ether
Molecular Weight
316.26 g/mol
Molecular Formula
C16H12O7
Num Rotatable Bonds
2