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
- 19727
- Core Entity Id
- 25109
- Source Entity Count
- 1
- Preferred Name
- Ganbajunin e
- Name En
- Pubchem Id
- 101157246
- Smiles Canonical
- C1=CC=C(C=C1)CC(=O)OC2=C(C(=C(C(=C2C3=CC=C(C=C3)O)O)OC(=O)CC4=CC=CC=C4)C5=CC=C(C=C5)O)O
- Molecular Formula
- C34H26O8
- Molecular Weight
- 562.5740
- Inchikey
- PHLLRMRUXYMDNK-UHFFFAOYSA-N
- Inchi
- InChI=1S/C34H26O8/c35-25-15-11-23(12-16-25)29-32(40)34(42-28(38)20-22-9-5-2-6-10-22)30(24-13-17-26(36)18-14-24)31(39)33(29)41-27(37)19-21-7-3-1-4-8-21/h1-18,35-36,39-40H,19-20H2
- Isomeric Smiles
- C1=CC=C(C=C1)CC(=O)OC2=C(C(=C(C(=C2C3=CC=C(C=C3)O)O)OC(=O)CC4=CC=CC=C4)C5=CC=C(C=C5)O)O
- Cas Id
- Ob Score
- Mol Logp
- 6.1392
- Num H Donors
- 4
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.1010
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ganbajunin E
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Ganbajunin e
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ganbajunin 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
(2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)-4-(2-phenylacetyl)oxyphenyl) 2-phenylacetate
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,4',5-Trihydroxy-4-(4-hydroxyphenyl)-6-((2-phenylacetyl)oxy)-(1,1'-biphenyl)-3-yl 2-phenylacetic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
2,4',5-Trihydroxy-4-(4-hydroxyphenyl)-6-[(2-phenylacetyl)oxy]-[1,1'-biphenyl]-3-yl 2-phenylacetic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
401813-44-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
401813-44-3
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:213280
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:213280
Role
alias
Source
HERB_v2
Preferred
No
Name
[2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)-4-(2-phenylacetyl)oxyphenyl] 2-phenylacetate
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*(2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)-4-(2-phenylacetyl)oxyphenyl) 2-phenylacetate2,4',5-Trihydroxy-4-(4-hydroxyphenyl)-6-((2-phenylacetyl)oxy)-(1,1'-biphenyl)-3-yl 2-phenylacetic acid2,4',5-Trihydroxy-4-(4-hydroxyphenyl)-6-[(2-phenylacetyl)oxy]-[1,1'-biphenyl]-3-yl 2-phenylacetic acid401813-44-3CHEBI:213280[2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)-4-(2-phenylacetyl)oxyphenyl] 2-phenylacetate
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN027171
Npass
NPC143688
Tcmid
8132
Pub Chem
101157246
Tcmbank
TCMBANKIN041323
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C34H26O8/c35-25-15-11-23(12-16-25)29-32(40)34(42-28(38)20-22-9-5-2-6-10-22)30(24-13-17-26(36)18-14-24)31(39)33(29)41-27(37)19-21-7-3-1-4-8-21/h1-18,35-36,39-40H,19-20H2
Mol Wt
562.5740000000004
Mol Log P
6.139200000000009
In Ch Ikey
PHLLRMRUXYMDNK-UHFFFAOYSA-N
Tcm Name
金黄革菌
Tcm Name2
JIN HUANG GE JUN
Mol2 Path
/TCM_database/2007_3d_all/08133.mol2
Reference
3423
Num Hdonors
4
Tcm Name En
Goldenyellow Thelephore*
Drug Likeness
0.101
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)CC4=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)CC4=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] 2-phenylacetate(2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)-4-(2-phenylacetyl)oxyphenyl) 2-phenylacetate2,4',5-Trihydroxy-4-(4-hydroxyphenyl)-6-((2-phenylacetyl)oxy)-(1,1'-biphenyl)-3-yl 2-phenylacetic acid2,4',5-Trihydroxy-4-(4-hydroxyphenyl)-6-[(2-phenylacetyl)oxy]-[1,1'-biphenyl]-3-yl 2-phenylacetic acidCHEBI:213280401813-44-3
Molecular Weight
562.6 g/mol
Molecular Formula
C34H26O8
Num Rotatable Bonds
8