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
- 9621
- Core Entity Id
- 13862
- Source Entity Count
- 1
- Preferred Name
- Acuminaminoside
- Name En
- Pubchem Id
- 21577089
- Smiles Canonical
- C1=CC=C(C(=C1)CC(=O)C2=C(OC3=CC=CC=C32)N)OC4C(C(C(C(O4)CO)O)O)O
- Molecular Formula
- C22H23NO8
- Molecular Weight
- 429.4250
- Inchikey
- FSCPLBXCTGZFSA-QKYBYQKWSA-N
- Inchi
- InChI=1S/C22H23NO8/c23-21-17(12-6-2-4-8-15(12)29-21)13(25)9-11-5-1-3-7-14(11)30-22-20(28)19(27)18(26)16(10-24)31-22/h1-8,16,18-20,22,24,26-28H,9-10,23H2/t16-,18-,19+,20-,22-/m1/s1
- Isomeric Smiles
- C1=CC=C(C(=C1)CC(=O)C2=C(OC3=CC=CC=C32)N)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 0.6191
- Num H Donors
- 5
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.3550
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Acuminaminoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Acuminaminoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Acuminaminoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
渐尖算盘子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
JIAN JIAN SUAN PAN ZI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Acuminate Glochidion*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
769954-40-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
769954-40-7
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL1513394
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1513394
Role
alias
Source
HERB_v2
Preferred
No
Name
Ethanone, 1-(2-amino-3-benzofuranyl)-2-(2-(beta-D-glucopyranosyloxy)phenyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ethanone, 1-(2-amino-3-benzofuranyl)-2-(2-(beta-D-glucopyranosyloxy)phenyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
GAB-521-XX
Role
alias
Source
HERB_v2
Preferred
No
Name
GAB-521-XX
Role
alias
Source
itcmdb_public
Preferred
No
Name
HMS2268O13
Role
alias
Source
HERB_v2
Preferred
No
Name
HMS2268O13
Role
alias
Source
itcmdb_public
Preferred
No
Name
MLS000563049
Role
alias
Source
HERB_v2
Preferred
No
Name
MLS000563049
Role
alias
Source
itcmdb_public
Preferred
No
Name
SMR001215824
Role
alias
Source
itcmdb_public
Preferred
No
Name
SMR001215824
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
渐尖算盘子JIAN JIAN SUAN PAN ZIAcuminate Glochidion*769954-40-7CHEMBL1513394Ethanone, 1-(2-amino-3-benzofuranyl)-2-(2-(beta-D-glucopyranosyloxy)phenyl)-GAB-521-XXHMS2268O13MLS000563049SMR001215824
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN014647
Npass
NPC308895
Tcmid
590
Pub Chem
21577089
Tcmbank
TCMBANKIN041184
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C22H23NO8/c23-21-17(12-6-2-4-8-15(12)29-21)13(25)9-11-5-1-3-7-14(11)30-22-20(28)19(27)18(26)16(10-24)31-22/h1-8,16,18-20,22,24,26-28H,9-10,23H2/t16-,18-,19+,20-,22-/m1/s1
Mol Wt
429.4250000000001
Mol Log P
0.6190999999999993
In Ch Ikey
FSCPLBXCTGZFSA-QKYBYQKWSA-N
Tcm Name
渐尖算盘子
Tcm Name2
JIAN JIAN SUAN PAN ZI
Mol2 Path
/TCM_database/2007_3d_all/00590.mol2
Reference
4286
Num Hdonors
5
Tcm Name En
Acuminate Glochidion*
Drug Likeness
0.355
Num Hacceptors
9
Isomeric Smiles
C1=CC=C(C(=C1)CC(=O)C2=C(OC3=CC=CC=C32)N)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
Canonical Smiles
C1=CC=C(C(=C1)CC(=O)C2=C(OC3=CC=CC=C32)N)OC4C(C(C(C(O4)CO)O)O)O
Herb Alias Names
769954-40-7Ethanone, 1-(2-amino-3-benzofuranyl)-2-(2-(beta-D-glucopyranosyloxy)phenyl)-MLS000563049GAB-521-XXCHEMBL1513394HMS2268O13SMR001215824
Molecular Weight
429.4 g/mol
Molecular Formula
C22H23NO8
Num Rotatable Bonds
6