Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 34917
- Core Entity Id
- 41998
- Source Entity Count
- 1
- Preferred Name
- Terrestrin c
- Name En
- Pubchem Id
- 101743853
- Smiles Canonical
- CCCC(=O)OC1=C(C(=C(C(=C1C2=CC=C(C=C2)O)O)O)C3=CC=C(C=C3)O)OC(=O)CC4=CC=CC=C4
- Molecular Formula
- C30H26O8
- Molecular Weight
- 514.5300
- Inchikey
- ATAPROZPHDHTGD-UHFFFAOYSA-N
- Inchi
- InChI=1S/C30H26O8/c1-2-6-23(33)37-29-25(19-9-13-21(31)14-10-19)27(35)28(36)26(20-11-15-22(32)16-12-20)30(29)38-24(34)17-18-7-4-3-5-8-18/h3-5,7-16,31-32,35-36H,2,6,17H2,1H3
- Isomeric Smiles
- CCCC(=O)OC1=C(C(=C(C(=C1C2=CC=C(C=C2)O)O)O)C3=CC=C(C=C3)O)OC(=O)CC4=CC=CC=C4
- Cas Id
- Ob Score
- Mol Logp
- 5.6966
- Num H Donors
- 4
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.1340
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Terrestrin C
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Terrestrin c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Terrestrin c
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
4',5,6-Trihydroxy-4-(4-hydroxyphenyl)-2-((2-phenylacetyl)oxy)-(1,1'-biphenyl)-3-yl butanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
4',5,6-Trihydroxy-4-(4-hydroxyphenyl)-2-((2-phenylacetyl)oxy)-(1,1'-biphenyl)-3-yl butanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
858134-25-5
Role
alias
Source
HERB_v2
Preferred
No
Name
858134-25-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:220647
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:220647
Role
alias
Source
HERB_v2
Preferred
No
Name
[3,4-dihydroxy-2,5-bis(4-hydroxyphenyl)-6-(2-phenylacetyl)oxyphenyl] butanoate
Role
alias
Source
HERB_v2
Preferred
No
Name
[3,4-dihydroxy-2,5-bis(4-hydroxyphenyl)-6-(2-phenylacetyl)oxyphenyl] butanoate
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*4',5,6-Trihydroxy-4-(4-hydroxyphenyl)-2-((2-phenylacetyl)oxy)-(1,1'-biphenyl)-3-yl butanoic acid858134-25-5CHEBI:220647[3,4-dihydroxy-2,5-bis(4-hydroxyphenyl)-6-(2-phenylacetyl)oxyphenyl] butanoate
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN045992
Npass
NPC171563
Tcmid
20992
Pub Chem
101743853
Tcmbank
TCMBANKIN038738
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C30H26O8/c1-2-6-23(33)37-29-25(19-9-13-21(31)14-10-19)27(35)28(36)26(20-11-15-22(32)16-12-20)30(29)38-24(34)17-18-7-4-3-5-8-18/h3-5,7-16,31-32,35-36H,2,6,17H2,1H3
Mol Wt
514.5300000000002
Mol Log P
5.696600000000009
In Ch Ikey
ATAPROZPHDHTGD-UHFFFAOYSA-N
Tcm Name
陆生革菌*
Tcm Name2
LU SHENG GE JUN
Mol2 Path
/TCM_database/2007_3d_all/21008.mol2
Reference
5276
Num Hdonors
4
Tcm Name En
Terrestrial Thelephore*
Drug Likeness
0.134
Num Hacceptors
8
Isomeric Smiles
CCCC(=O)OC1=C(C(=C(C(=C1C2=CC=C(C=C2)O)O)O)C3=CC=C(C=C3)O)OC(=O)CC4=CC=CC=C4
Canonical Smiles
CCCC(=O)OC1=C(C(=C(C(=C1C2=CC=C(C=C2)O)O)O)C3=CC=C(C=C3)O)OC(=O)CC4=CC=CC=C4
Herb Alias Names
[3,4-dihydroxy-2,5-bis(4-hydroxyphenyl)-6-(2-phenylacetyl)oxyphenyl] butanoate(3,4-dihydroxy-2,5-bis(4-hydroxyphenyl)-6-(2-phenylacetyl)oxyphenyl) butanoate4',5,6-Trihydroxy-4-(4-hydroxyphenyl)-2-((2-phenylacetyl)oxy)-(1,1'-biphenyl)-3-yl butanoic acid4',5,6-Trihydroxy-4-(4-hydroxyphenyl)-2-[(2-phenylacetyl)oxy]-[1,1'-biphenyl]-3-yl butanoic acidCHEBI:220647858134-25-5
Molecular Weight
514.5 g/mol
Molecular Formula
C30H26O8
Num Rotatable Bonds
8