Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Target: 3Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 26642
- Core Entity Id
- 32803
- Source Entity Count
- 1
- Preferred Name
- Moracinm 3-o-beta-d-glucopyranoside
- Name En
- Pubchem Id
- 197721
- Smiles Canonical
- C1=CC2=C(C=C1O)OC(=C2)C3=CC(=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O)O
- Molecular Formula
- C20H20O9
- Molecular Weight
- 404.3710
- Inchikey
- WWVMDZBSOTYXPY-OUUBHVDSSA-N
- Inchi
- InChI=1S/C20H20O9/c21-8-16-17(24)18(25)19(26)20(29-16)27-13-4-10(3-12(23)6-13)14-5-9-1-2-11(22)7-15(9)28-14/h1-7,16-26H,8H2/t16-,17-,18+,19-,20-/m1/s1
- Isomeric Smiles
- C1=CC2=C(C=C1O)OC(=C2)C3=CC(=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
- Cas Id
- Ob Score
- 10.5880
- Mol Logp
- 0.6897
- Num H Donors
- 6
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.3690
- Polar Surface Area
- 153.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Moracin m 3'-o-beta-d-glucopyranoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Moracinm 3-o-beta-d-glucopyranoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2S,3R,4S,5S,6R)-2-[3-hydroxy-5-(6-hydroxy-1-benzofuran-2-yl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S,3R,4S,5S,6R)-2-[3-hydroxy-5-(6-hydroxy-1-benzofuran-2-yl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Role
alias
Source
itcmdb_public
Preferred
No
Name
152041-26-4
Role
alias
Source
HERB_v2
Preferred
No
Name
152041-26-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL5273965
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL5273965
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXCID1087435
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXCID1087435
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID50164944
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID50164944
Role
alias
Source
HERB_v2
Preferred
No
Name
MMGP
Role
alias
Source
HERB_v2
Preferred
No
Name
MMGP
Role
alias
Source
itcmdb_public
Preferred
No
Name
Moracin M-3'-O-glucopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
Moracin M-3'-O-glucopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
NCGC00385603-01
Role
alias
Source
itcmdb_public
Preferred
No
Name
NCGC00385603-01
Role
alias
Source
HERB_v2
Preferred
No
Name
beta-D-Glucopyranoside, 3-hydroxy-5-(6-hydroxy-2-benzofuranyl)phenyl
Role
alias
Source
itcmdb_public
Preferred
No
Name
beta-D-Glucopyranoside, 3-hydroxy-5-(6-hydroxy-2-benzofuranyl)phenyl
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Moracin m 3'-o-beta-d-glucopyranoside(2S,3R,4S,5S,6R)-2-[3-hydroxy-5-(6-hydroxy-1-benzofuran-2-yl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol152041-26-4CHEMBL5273965DTXCID1087435DTXSID50164944MMGPMoracin M-3'-O-glucopyranosideNCGC00385603-01beta-D-Glucopyranoside, 3-hydroxy-5-(6-hydroxy-2-benzofuranyl)phenyl
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN035731HBIN035732HBIN035733
Tcmid
1495537533
Tcmsp
MOL012715
Sym Map
SMIT13449
Pub Chem
197721
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H20O9/c21-8-16-17(24)18(25)19(26)20(29-16)27-13-4-10(3-12(23)6-13)14-5-9-1-2-11(22)7-15(9)28-14/h1-7,16-26H,8H2/t16-,17-,18+,19-,20-/m1/s1
Mol Wt
404.3710000000001
Mol Log P
0.6897000000000006
In Ch Ikey
WWVMDZBSOTYXPY-OUUBHVDSSA-N
Ob Score
10.588
Num Hdonors
6
Drug Likeness
0.369
Num Hacceptors
9
Isomeric Smiles
C1=CC2=C(C=C1O)OC(=C2)C3=CC(=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
Canonical Smiles
C1=CC2=C(C=C1O)OC(=C2)C3=CC(=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O)O
Molecular Formula
C20H20O9
Num Rotatable Bonds
4