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
- 35152
- Core Entity Id
- 42258
- Source Entity Count
- 1
- Preferred Name
- Thelephantin g
- Name En
- Pubchem Id
- 101245355
- Smiles Canonical
- C1=CC(=CC=C1C2=C(C(=C(C(=C2OC(=O)C3=CC=C(C=C3)O)O)C4=CC=C(C=C4)O)OC(=O)C5=CC=C(C=C5)O)O)O
- Molecular Formula
- C32H22O10
- Molecular Weight
- 566.5180
- Inchikey
- FBQCJMPPQFHRNZ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C32H22O10/c33-21-9-1-17(2-10-21)25-27(37)30(42-32(40)20-7-15-24(36)16-8-20)26(18-3-11-22(34)12-4-18)28(38)29(25)41-31(39)19-5-13-23(35)14-6-19/h1-16,33-38H
- Isomeric Smiles
- C1=CC(=CC=C1C2=C(C(=C(C(=C2OC(=O)C3=CC=C(C=C3)O)O)C4=CC=C(C=C4)O)OC(=O)C5=CC=C(C=C5)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 5.6926
- Num H Donors
- 6
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.0850
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Thelephantin G
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Thelephantin g
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Thelephantin g
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
CHEBI:213887
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:213887
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL5176530
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL5176530
Role
alias
Source
HERB_v2
Preferred
No
Name
[2,5-dihydroxy-4-(4-hydroxybenzoyl)oxy-3,6-bis(4-hydroxyphenyl)phenyl] 4-hydroxybenzoate
Role
alias
Source
HERB_v2
Preferred
No
Name
[2,5-dihydroxy-4-(4-hydroxybenzoyl)oxy-3,6-bis(4-hydroxyphenyl)phenyl] 4-hydroxybenzoate
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*CHEBI:213887CHEMBL5176530[2,5-dihydroxy-4-(4-hydroxybenzoyl)oxy-3,6-bis(4-hydroxyphenyl)phenyl] 4-hydroxybenzoate
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN046269
Npass
NPC166109
Tcmid
21283
Pub Chem
101245355
Tcmbank
TCMBANKIN039320
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C32H22O10/c33-21-9-1-17(2-10-21)25-27(37)30(42-32(40)20-7-15-24(36)16-8-20)26(18-3-11-22(34)12-4-18)28(38)29(25)41-31(39)19-5-13-23(35)14-6-19/h1-16,33-38H
Mol Wt
566.5180000000004
Mol Log P
5.692600000000009
In Ch Ikey
FBQCJMPPQFHRNZ-UHFFFAOYSA-N
Tcm Name
金黄革菌
Tcm Name2
JIN HUANG GE JUN
Mol2 Path
/TCM_database/2007_3d_all/21299.mol2
Reference
3423
Num Hdonors
6
Tcm Name En
Goldenyellow Thelephore*
Drug Likeness
0.085
Num Hacceptors
10
Isomeric Smiles
C1=CC(=CC=C1C2=C(C(=C(C(=C2OC(=O)C3=CC=C(C=C3)O)O)C4=CC=C(C=C4)O)OC(=O)C5=CC=C(C=C5)O)O)O
Canonical Smiles
C1=CC(=CC=C1C2=C(C(=C(C(=C2OC(=O)C3=CC=C(C=C3)O)O)C4=CC=C(C=C4)O)OC(=O)C5=CC=C(C=C5)O)O)O
Herb Alias Names
CHEMBL5176530CHEBI:213887[2,5-dihydroxy-4-(4-hydroxybenzoyl)oxy-3,6-bis(4-hydroxyphenyl)phenyl] 4-hydroxybenzoate
Molecular Weight
566.5 g/mol
Molecular Formula
C32H22O10
Num Rotatable Bonds
6