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
- 35153
- Core Entity Id
- 42259
- Source Entity Count
- 1
- Preferred Name
- Thelephantin h
- Name En
- Pubchem Id
- 101260624
- Smiles Canonical
- C1=CC=C(C=C1)CC(=O)OC2=C(C(=C(C3=C2C4=CC(=C(C=C4O3)O)O)OC(=O)C5=CC=C(C=C5)O)C6=CC=C(C=C6)O)O
- Molecular Formula
- C33H22O10
- Molecular Weight
- 578.5290
- Inchikey
- IHUAUKNDLWICHA-UHFFFAOYSA-N
- Inchi
- InChI=1S/C33H22O10/c34-20-10-6-18(7-11-20)27-29(39)30(42-26(38)14-17-4-2-1-3-5-17)28-22-15-23(36)24(37)16-25(22)41-32(28)31(27)43-33(40)19-8-12-21(35)13-9-19/h1-13,15-16,34-37,39H,14H2
- Isomeric Smiles
- C1=CC=C(C=C1)CC(=O)OC2=C(C(=C(C3=C2C4=CC(=C(C=C4O3)O)O)OC(=O)C5=CC=C(C=C5)O)C6=CC=C(C=C6)O)O
- Cas Id
- Ob Score
- Mol Logp
- 6.1483
- Num H Donors
- 5
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.0880
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Thelephantin H
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Thelephantin h
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Thelephantin h
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
(2,7,8-trihydroxy-3-(4-hydroxyphenyl)-1-(2-phenylacetyl)oxydibenzofuran-4-yl) 4-hydroxybenzoate
Role
alias
Source
HERB_v2
Preferred
No
Name
4,11,12-Trihydroxy-5-(4-hydroxyphenyl)-3-((2-phenylacetyl)oxy)-8-oxatricyclo(7.4.0.0,)trideca-1(9),2,4,6,10,12-hexaen-6-yl 4-hydroxybenzoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
4,11,12-Trihydroxy-5-(4-hydroxyphenyl)-3-[(2-phenylacetyl)oxy]-8-oxatricyclo[7.4.0.0,]trideca-1(9),2,4,6,10,12-hexaen-6-yl 4-hydroxybenzoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
610769-64-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
610769-64-7
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:202976
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:202976
Role
alias
Source
itcmdb_public
Preferred
No
Name
[2,7,8-trihydroxy-3-(4-hydroxyphenyl)-1-(2-phenylacetyl)oxydibenzofuran-4-yl] 4-hydroxybenzoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
[2,7,8-trihydroxy-3-(4-hydroxyphenyl)-1-(2-phenylacetyl)oxydibenzouran-4-yl] 4-hydroxybenzoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
[2,7,8-trihydroxy-3-(4-hydroxyphenyl)-1-(2-phenylacetyl)oxydibenzouran-4-yl] 4-hydroxybenzoate
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
金黄革菌JIN HUANG GE JUNGoldenyellow Thelephore*(2,7,8-trihydroxy-3-(4-hydroxyphenyl)-1-(2-phenylacetyl)oxydibenzofuran-4-yl) 4-hydroxybenzoate4,11,12-Trihydroxy-5-(4-hydroxyphenyl)-3-((2-phenylacetyl)oxy)-8-oxatricyclo(7.4.0.0,)trideca-1(9),2,4,6,10,12-hexaen-6-yl 4-hydroxybenzoic acid4,11,12-Trihydroxy-5-(4-hydroxyphenyl)-3-[(2-phenylacetyl)oxy]-8-oxatricyclo[7.4.0.0,]trideca-1(9),2,4,6,10,12-hexaen-6-yl 4-hydroxybenzoic acid610769-64-7CHEBI:202976[2,7,8-trihydroxy-3-(4-hydroxyphenyl)-1-(2-phenylacetyl)oxydibenzofuran-4-yl] 4-hydroxybenzoate[2,7,8-trihydroxy-3-(4-hydroxyphenyl)-1-(2-phenylacetyl)oxydibenzouran-4-yl] 4-hydroxybenzoate
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN046270
Npass
NPC120428
Tcmid
21284
Pub Chem
101260624
Tcmbank
TCMBANKIN044988
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C33H22O10/c34-20-10-6-18(7-11-20)27-29(39)30(42-26(38)14-17-4-2-1-3-5-17)28-22-15-23(36)24(37)16-25(22)41-32(28)31(27)43-33(40)19-8-12-21(35)13-9-19/h1-13,15-16,34-37,39H,14H2
Mol Wt
578.5290000000003
Mol Log P
6.148300000000008
In Ch Ikey
IHUAUKNDLWICHA-UHFFFAOYSA-N
Tcm Name
金黄革菌
Tcm Name2
JIN HUANG GE JUN
Mol2 Path
/TCM_database/2007_3d_all/21300.mol2
Reference
3423
Num Hdonors
5
Tcm Name En
Goldenyellow Thelephore*
Drug Likeness
0.088
Num Hacceptors
10
Isomeric Smiles
C1=CC=C(C=C1)CC(=O)OC2=C(C(=C(C3=C2C4=CC(=C(C=C4O3)O)O)OC(=O)C5=CC=C(C=C5)O)C6=CC=C(C=C6)O)O
Canonical Smiles
C1=CC=C(C=C1)CC(=O)OC2=C(C(=C(C3=C2C4=CC(=C(C=C4O3)O)O)OC(=O)C5=CC=C(C=C5)O)C6=CC=C(C=C6)O)O
Herb Alias Names
(2,7,8-trihydroxy-3-(4-hydroxyphenyl)-1-(2-phenylacetyl)oxydibenzofuran-4-yl) 4-hydroxybenzoate[2,7,8-trihydroxy-3-(4-hydroxyphenyl)-1-(2-phenylacetyl)oxydibenzofuran-4-yl] 4-hydroxybenzoate4,11,12-Trihydroxy-5-(4-hydroxyphenyl)-3-((2-phenylacetyl)oxy)-8-oxatricyclo(7.4.0.0,)trideca-1(9),2,4,6,10,12-hexaen-6-yl 4-hydroxybenzoic acid4,11,12-Trihydroxy-5-(4-hydroxyphenyl)-3-[(2-phenylacetyl)oxy]-8-oxatricyclo[7.4.0.0,]trideca-1(9),2,4,6,10,12-hexaen-6-yl 4-hydroxybenzoic acidCHEBI:202976[2,7,8-trihydroxy-3-(4-hydroxyphenyl)-1-(2-phenylacetyl)oxydibenzouran-4-yl] 4-hydroxybenzoate610769-64-7
Molecular Weight
578.5 g/mol
Molecular Formula
C33H22O10
Num Rotatable Bonds
6