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
- 35150
- Core Entity Id
- 42256
- Source Entity Count
- 1
- Preferred Name
- Thelephantin e
- Name En
- Pubchem Id
- 139583228
- Smiles Canonical
- C1=CC=C(C=C1)CC(=O)OC2=C(C(=C(C(=C2C3=CC=C(C=C3)O)O)OC(=O)C4=CC=CC=C4)C5=CC=C(C=C5)O)O
- Molecular Formula
- C33H24O8
- Molecular Weight
- 548.5470
- Inchikey
- YCFNLYQTIFFNTO-UHFFFAOYSA-N
- Inchi
- InChI=1S/C33H24O8/c34-24-15-11-21(12-16-24)27-30(38)32(41-33(39)23-9-5-2-6-10-23)28(22-13-17-25(35)18-14-22)29(37)31(27)40-26(36)19-20-7-3-1-4-8-20/h1-18,34-35,37-38H,19H2
- Isomeric Smiles
- C1=CC=C(C=C1)CC(=O)OC2=C(C(=C(C(=C2C3=CC=C(C=C3)O)O)OC(=O)C4=CC=CC=C4)C5=CC=C(C=C5)O)O
- Cas Id
- Ob Score
- Mol Logp
- 6.2103
- Num H Donors
- 4
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.1070
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Thelephantin E
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Thelephantin e
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Thelephantin e
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
金黄革菌
Role
TCM_name
Source
TCMBank
Preferred
No
Name
JIN HUANG GE JUN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Goldenyellow Thelephore*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
2,4',5-Trihydroxy-4-(4-hydroxyphenyl)-6-((2-phenylacetyl)oxy)-(1,1'-biphenyl)-3-yl benzoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,4',5-Trihydroxy-4-(4-hydroxyphenyl)-6-((2-phenylacetyl)oxy)-(1,1'-biphenyl)-3-yl benzoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
610769-61-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
610769-61-4
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:197988
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:197988
Role
alias
Source
itcmdb_public
Preferred
No
Name
[2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)-4-(2-phenylacetyl)oxyphenyl] benzoate
Role
alias
Source
HERB_v2
Preferred
No
Name
[2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)-4-(2-phenylacetyl)oxyphenyl] benzoate
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
金黄革菌JIN HUANG GE JUNGoldenyellow Thelephore*2,4',5-Trihydroxy-4-(4-hydroxyphenyl)-6-((2-phenylacetyl)oxy)-(1,1'-biphenyl)-3-yl benzoic acid610769-61-4CHEBI:197988[2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)-4-(2-phenylacetyl)oxyphenyl] benzoate
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN046267
Tcmid
21281
Pub Chem
139583228
Tcmbank
TCMBANKIN048287
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C33H24O8/c34-24-15-11-21(12-16-24)27-30(38)32(41-33(39)23-9-5-2-6-10-23)28(22-13-17-25(35)18-14-22)29(37)31(27)40-26(36)19-20-7-3-1-4-8-20/h1-18,34-35,37-38H,19H2
Mol Wt
548.5470000000004
Mol Log P
6.210300000000008
In Ch Ikey
YCFNLYQTIFFNTO-UHFFFAOYSA-N
Tcm Name
金黄革菌
Tcm Name2
JIN HUANG GE JUN
Mol2 Path
/TCM_database/2007_3d_all/21297.mol2
Reference
3423
Num Hdonors
4
Tcm Name En
Goldenyellow Thelephore*
Drug Likeness
0.107
Num Hacceptors
8
Isomeric Smiles
C1=CC=C(C=C1)CC(=O)OC2=C(C(=C(C(=C2C3=CC=C(C=C3)O)O)OC(=O)C4=CC=CC=C4)C5=CC=C(C=C5)O)O
Canonical Smiles
C1=CC=C(C=C1)CC(=O)OC2=C(C(=C(C(=C2C3=CC=C(C=C3)O)O)OC(=O)C4=CC=CC=C4)C5=CC=C(C=C5)O)O
Herb Alias Names
[2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)-4-(2-phenylacetyl)oxyphenyl] benzoate(2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)-4-(2-phenylacetyl)oxyphenyl) benzoate2,4',5-Trihydroxy-4-(4-hydroxyphenyl)-6-((2-phenylacetyl)oxy)-(1,1'-biphenyl)-3-yl benzoic acid2,4',5-Trihydroxy-4-(4-hydroxyphenyl)-6-[(2-phenylacetyl)oxy]-[1,1'-biphenyl]-3-yl benzoic acidCHEBI:197988610769-61-4
Molecular Weight
548.5 g/mol
Molecular Formula
C33H24O8
Num Rotatable Bonds
7