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
- 34918
- Core Entity Id
- 41999
- Source Entity Count
- 1
- Preferred Name
- Terrestrin d
- Name En
- Pubchem Id
- 60201958
- Smiles Canonical
- CC(=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
- C28H22O8
- Molecular Weight
- 486.4760
- Inchikey
- ZECONWCYCOYFLP-UHFFFAOYSA-N
- Inchi
- InChI=1S/C28H22O8/c1-16(29)35-27-23(18-7-11-20(30)12-8-18)25(33)26(34)24(19-9-13-21(31)14-10-19)28(27)36-22(32)15-17-5-3-2-4-6-17/h2-14,30-31,33-34H,15H2,1H3
- Isomeric Smiles
- CC(=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
- 4.9164
- Num H Donors
- 4
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.1720
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Terrestrin D
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Terrestrin d
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Terrestrin d
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
(2-acetyloxy-4,5-dihydroxy-3,6-bis(4-hydroxyphenyl)phenyl) 2-phenylacetate
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-(Acetyloxy)-4',5,6-trihydroxy-4-(4-hydroxyphenyl)-(1,1'-biphenyl)-2-yl 2-phenylacetic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-(Acetyloxy)-4',5,6-trihydroxy-4-(4-hydroxyphenyl)-(1,1'-biphenyl)-2-yl 2-phenylacetic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
858134-26-6
Role
alias
Source
HERB_v2
Preferred
No
Name
858134-26-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:223952
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:223952
Role
alias
Source
HERB_v2
Preferred
No
Name
[2-acetyloxy-4,5-dihydroxy-3,6-bis(4-hydroxyphenyl)phenyl] 2-phenylacetate
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*(2-acetyloxy-4,5-dihydroxy-3,6-bis(4-hydroxyphenyl)phenyl) 2-phenylacetate3-(Acetyloxy)-4',5,6-trihydroxy-4-(4-hydroxyphenyl)-(1,1'-biphenyl)-2-yl 2-phenylacetic acid858134-26-6CHEBI:223952[2-acetyloxy-4,5-dihydroxy-3,6-bis(4-hydroxyphenyl)phenyl] 2-phenylacetate
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN045993
Npass
NPC282953
Tcmid
20993
Pub Chem
60201958
Tcmbank
TCMBANKIN039515
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C28H22O8/c1-16(29)35-27-23(18-7-11-20(30)12-8-18)25(33)26(34)24(19-9-13-21(31)14-10-19)28(27)36-22(32)15-17-5-3-2-4-6-17/h2-14,30-31,33-34H,15H2,1H3
Mol Wt
486.4760000000002
Mol Log P
4.916400000000007
In Ch Ikey
ZECONWCYCOYFLP-UHFFFAOYSA-N
Tcm Name
陆生革菌*
Tcm Name2
LU SHENG GE JUN
Mol2 Path
/TCM_database/2007_3d_all/21009.mol2
Reference
5276
Num Hdonors
4
Tcm Name En
Terrestrial Thelephore*
Drug Likeness
0.172
Num Hacceptors
8
Isomeric Smiles
CC(=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
CC(=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
[2-acetyloxy-4,5-dihydroxy-3,6-bis(4-hydroxyphenyl)phenyl] 2-phenylacetate(2-acetyloxy-4,5-dihydroxy-3,6-bis(4-hydroxyphenyl)phenyl) 2-phenylacetate3-(Acetyloxy)-4',5,6-trihydroxy-4-(4-hydroxyphenyl)-(1,1'-biphenyl)-2-yl 2-phenylacetic acid3-(Acetyloxy)-4',5,6-trihydroxy-4-(4-hydroxyphenyl)-[1,1'-biphenyl]-2-yl 2-phenylacetic acidCHEBI:223952858134-26-6
Molecular Weight
486.5 g/mol
Molecular Formula
C28H22O8
Num Rotatable Bonds
6