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
- 34919
- Core Entity Id
- 42000
- Source Entity Count
- 1
- Preferred Name
- Terrestrin e
- Name En
- Pubchem Id
- 101743854
- Smiles Canonical
- C1=CC=C(C=C1)CC(=O)OC2=C(C(=C(C3=C2OC4=CC(=C(C=C43)O)O)OC(=O)CC5=CC=CC=C5)OC(=O)CC6=CC=CC=C6)C7=CC(=C(C=C7)O)O
- Molecular Formula
- C42H30O11
- Molecular Weight
- 710.6910
- Inchikey
- ZJFAIHIWRLRNID-UHFFFAOYSA-N
- Inchi
- InChI=1S/C42H30O11/c43-29-17-16-27(21-30(29)44)37-39(51-34(47)18-24-10-4-1-5-11-24)41-38(28-22-31(45)32(46)23-33(28)50-41)42(53-36(49)20-26-14-8-3-9-15-26)40(37)52-35(48)19-25-12-6-2-7-13-25/h1-17,21-23,43-46H,18-20H2
- Isomeric Smiles
- C1=CC=C(C=C1)CC(=O)OC2=C(C(=C(C3=C2OC4=CC(=C(C=C43)O)O)OC(=O)CC5=CC=CC=C5)OC(=O)CC6=CC=CC=C6)C7=CC(=C(C=C7)O)O
- Cas Id
- Ob Score
- Mol Logp
- 7.5197
- Num H Donors
- 4
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 10
- Drug Likeness
- 0.0630
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Terrestrin E
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Terrestrin e
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Terrestrin e
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
(3-(3,4-dihydroxyphenyl)-7,8-dihydroxy-1,2-bis((2-phenylacetyl)oxy)dibenzofuran-4-yl) 2-phenylacetate
Role
alias
Source
HERB_v2
Preferred
No
Name
(3-(3,4-dihydroxyphenyl)-7,8-dihydroxy-1,2-bis((2-phenylacetyl)oxy)dibenzofuran-4-yl) 2-phenylacetate
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-(3,4-Dihydroxyphenyl)-11,12-dihydroxy-3,6-bis((2-phenylacetyl)oxy)-8-oxatricyclo(7.4.0.0,)trideca-1(9),2(7),3,5,10,12-hexaen-4-yl 2-phenylacetic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-(3,4-Dihydroxyphenyl)-11,12-dihydroxy-3,6-bis((2-phenylacetyl)oxy)-8-oxatricyclo(7.4.0.0,)trideca-1(9),2(7),3,5,10,12-hexaen-4-yl 2-phenylacetic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
858134-27-7
Role
alias
Source
HERB_v2
Preferred
No
Name
858134-27-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:200954
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:200954
Role
alias
Source
HERB_v2
Preferred
No
Name
[3-(3,4-dihydroxyphenyl)-7,8-dihydroxy-1,2-bis[(2-phenylacetyl)oxy]dibenzouran-4-yl] 2-phenylacetate
Role
alias
Source
HERB_v2
Preferred
No
Name
[3-(3,4-dihydroxyphenyl)-7,8-dihydroxy-1,2-bis[(2-phenylacetyl)oxy]dibenzouran-4-yl] 2-phenylacetate
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
陆生革菌*LU SHENG GE JUNTerrestrial Thelephore*(3-(3,4-dihydroxyphenyl)-7,8-dihydroxy-1,2-bis((2-phenylacetyl)oxy)dibenzofuran-4-yl) 2-phenylacetate5-(3,4-Dihydroxyphenyl)-11,12-dihydroxy-3,6-bis((2-phenylacetyl)oxy)-8-oxatricyclo(7.4.0.0,)trideca-1(9),2(7),3,5,10,12-hexaen-4-yl 2-phenylacetic acid858134-27-7CHEBI:200954[3-(3,4-dihydroxyphenyl)-7,8-dihydroxy-1,2-bis[(2-phenylacetyl)oxy]dibenzouran-4-yl] 2-phenylacetate
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN045994
Npass
NPC207211
Tcmid
20994
Pub Chem
101743854
Tcmbank
TCMBANKIN043547
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C42H30O11/c43-29-17-16-27(21-30(29)44)37-39(51-34(47)18-24-10-4-1-5-11-24)41-38(28-22-31(45)32(46)23-33(28)50-41)42(53-36(49)20-26-14-8-3-9-15-26)40(37)52-35(48)19-25-12-6-2-7-13-25/h1-17,21-23,43-46H,18-20H2
Mol Wt
710.6910000000003
Mol Log P
7.519700000000009
In Ch Ikey
ZJFAIHIWRLRNID-UHFFFAOYSA-N
Tcm Name
陆生革菌*
Tcm Name2
LU SHENG GE JUN
Mol2 Path
/TCM_database/2007_3d_all/21010.mol2
Reference
5276
Num Hdonors
4
Tcm Name En
Terrestrial Thelephore*
Drug Likeness
0.063
Num Hacceptors
11
Isomeric Smiles
C1=CC=C(C=C1)CC(=O)OC2=C(C(=C(C3=C2OC4=CC(=C(C=C43)O)O)OC(=O)CC5=CC=CC=C5)OC(=O)CC6=CC=CC=C6)C7=CC(=C(C=C7)O)O
Canonical Smiles
C1=CC=C(C=C1)CC(=O)OC2=C(C(=C(C3=C2OC4=CC(=C(C=C43)O)O)OC(=O)CC5=CC=CC=C5)OC(=O)CC6=CC=CC=C6)C7=CC(=C(C=C7)O)O
Herb Alias Names
(3-(3,4-dihydroxyphenyl)-7,8-dihydroxy-1,2-bis((2-phenylacetyl)oxy)dibenzofuran-4-yl) 2-phenylacetate[3-(3,4-dihydroxyphenyl)-7,8-dihydroxy-1,2-bis[(2-phenylacetyl)oxy]dibenzofuran-4-yl] 2-phenylacetate5-(3,4-Dihydroxyphenyl)-11,12-dihydroxy-3,6-bis((2-phenylacetyl)oxy)-8-oxatricyclo(7.4.0.0,)trideca-1(9),2(7),3,5,10,12-hexaen-4-yl 2-phenylacetic acid5-(3,4-Dihydroxyphenyl)-11,12-dihydroxy-3,6-bis[(2-phenylacetyl)oxy]-8-oxatricyclo[7.4.0.0,]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl 2-phenylacetic acidCHEBI:200954[3-(3,4-dihydroxyphenyl)-7,8-dihydroxy-1,2-bis[(2-phenylacetyl)oxy]dibenzouran-4-yl] 2-phenylacetate858134-27-7
Molecular Weight
710.7 g/mol
Molecular Formula
C42H30O11
Num Rotatable Bonds
10