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
- 34921
- Core Entity Id
- 42002
- Source Entity Count
- 1
- Preferred Name
- Terrestrin g
- Name En
- Pubchem Id
- 101743856
- Smiles Canonical
- C1=CC=C(C=C1)CC(=O)OC2=C(C3=C(C(=C2C4=CC=C(C=C4)O)OC(=O)C5=CC=C(C=C5)O)OC6=CC(=C(C=C63)O)O)OC(=O)CC7=CC=CC=C7
- Molecular Formula
- C41H28O11
- Molecular Weight
- 696.6640
- Inchikey
- XCEZKLQQNIQRPB-UHFFFAOYSA-N
- Inchi
- InChI=1S/C41H28O11/c42-27-15-11-25(12-16-27)35-37(50-33(46)19-23-7-3-1-4-8-23)40(51-34(47)20-24-9-5-2-6-10-24)36-29-21-30(44)31(45)22-32(29)49-39(36)38(35)52-41(48)26-13-17-28(43)18-14-26/h1-18,21-22,42-45H,19-20H2
- Isomeric Smiles
- C1=CC=C(C=C1)CC(=O)OC2=C(C3=C(C(=C2C4=CC=C(C=C4)O)OC(=O)C5=CC=C(C=C5)O)OC6=CC(=C(C=C63)O)O)OC(=O)CC7=CC=CC=C7
- Cas Id
- Ob Score
- Mol Logp
- 7.5908
- Num H Donors
- 4
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 9
- Drug Likeness
- 0.0670
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Terrestrin G
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Terrestrin g
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Terrestrin g
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
陆生革菌*
Role
TCM_name
Source
TCMBank
Preferred
No
Name
LU SHENG GE JUN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Terrestrial Thelephore*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(7,8-dihydroxy-3-(4-hydroxyphenyl)-1,2-bis((2-phenylacetyl)oxy)dibenzofuran-4-yl) 4-hydroxybenzoate
Role
alias
Source
HERB_v2
Preferred
No
Name
11,12-Dihydroxy-5-(4-hydroxyphenyl)-3,4-bis((2-phenylacetyl)oxy)-8-oxatricyclo(7.4.0.0,)trideca-1(9),2(7),3,5,10,12-hexaen-6-yl 4-hydroxybenzoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
11,12-Dihydroxy-5-(4-hydroxyphenyl)-3,4-bis((2-phenylacetyl)oxy)-8-oxatricyclo(7.4.0.0,)trideca-1(9),2(7),3,5,10,12-hexaen-6-yl 4-hydroxybenzoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
858134-29-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
858134-29-9
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:201952
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:201952
Role
alias
Source
HERB_v2
Preferred
No
Name
[7,8-dihydroxy-3-(4-hydroxyphenyl)-1,2-bis[(2-phenylacetyl)oxy]dibenzofuran-4-yl] 4-hydroxybenzoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
[7,8-dihydroxy-3-(4-hydroxyphenyl)-1,2-bis[(2-phenylacetyl)oxy]dibenzouran-4-yl] 4-hydroxybenzoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
[7,8-dihydroxy-3-(4-hydroxyphenyl)-1,2-bis[(2-phenylacetyl)oxy]dibenzouran-4-yl] 4-hydroxybenzoate
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
陆生革菌*LU SHENG GE JUNTerrestrial Thelephore*(7,8-dihydroxy-3-(4-hydroxyphenyl)-1,2-bis((2-phenylacetyl)oxy)dibenzofuran-4-yl) 4-hydroxybenzoate11,12-Dihydroxy-5-(4-hydroxyphenyl)-3,4-bis((2-phenylacetyl)oxy)-8-oxatricyclo(7.4.0.0,)trideca-1(9),2(7),3,5,10,12-hexaen-6-yl 4-hydroxybenzoic acid858134-29-9CHEBI:201952[7,8-dihydroxy-3-(4-hydroxyphenyl)-1,2-bis[(2-phenylacetyl)oxy]dibenzofuran-4-yl] 4-hydroxybenzoate[7,8-dihydroxy-3-(4-hydroxyphenyl)-1,2-bis[(2-phenylacetyl)oxy]dibenzouran-4-yl] 4-hydroxybenzoate
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN045996
Npass
NPC9734
Tcmid
20996
Pub Chem
101743856
Tcmbank
TCMBANKIN044633
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C41H28O11/c42-27-15-11-25(12-16-27)35-37(50-33(46)19-23-7-3-1-4-8-23)40(51-34(47)20-24-9-5-2-6-10-24)36-29-21-30(44)31(45)22-32(29)49-39(36)38(35)52-41(48)26-13-17-28(43)18-14-26/h1-18,21-22,42-45H,19-20H2
Mol Wt
696.6640000000003
Mol Log P
7.59080000000001
In Ch Ikey
XCEZKLQQNIQRPB-UHFFFAOYSA-N
Tcm Name
陆生革菌*
Tcm Name2
LU SHENG GE JUN
Mol2 Path
/TCM_database/2007_3d_all/21012.mol2
Reference
5276
Num Hdonors
4
Tcm Name En
Terrestrial Thelephore*
Drug Likeness
0.067
Num Hacceptors
11
Isomeric Smiles
C1=CC=C(C=C1)CC(=O)OC2=C(C3=C(C(=C2C4=CC=C(C=C4)O)OC(=O)C5=CC=C(C=C5)O)OC6=CC(=C(C=C63)O)O)OC(=O)CC7=CC=CC=C7
Canonical Smiles
C1=CC=C(C=C1)CC(=O)OC2=C(C3=C(C(=C2C4=CC=C(C=C4)O)OC(=O)C5=CC=C(C=C5)O)OC6=CC(=C(C=C63)O)O)OC(=O)CC7=CC=CC=C7
Herb Alias Names
(7,8-dihydroxy-3-(4-hydroxyphenyl)-1,2-bis((2-phenylacetyl)oxy)dibenzofuran-4-yl) 4-hydroxybenzoate[7,8-dihydroxy-3-(4-hydroxyphenyl)-1,2-bis[(2-phenylacetyl)oxy]dibenzofuran-4-yl] 4-hydroxybenzoate11,12-Dihydroxy-5-(4-hydroxyphenyl)-3,4-bis((2-phenylacetyl)oxy)-8-oxatricyclo(7.4.0.0,)trideca-1(9),2(7),3,5,10,12-hexaen-6-yl 4-hydroxybenzoic acid11,12-Dihydroxy-5-(4-hydroxyphenyl)-3,4-bis[(2-phenylacetyl)oxy]-8-oxatricyclo[7.4.0.0,]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl 4-hydroxybenzoic acidCHEBI:201952[7,8-dihydroxy-3-(4-hydroxyphenyl)-1,2-bis[(2-phenylacetyl)oxy]dibenzouran-4-yl] 4-hydroxybenzoate858134-29-9
Molecular Weight
696.7 g/mol
Molecular Formula
C41H28O11
Num Rotatable Bonds
9