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
- 39746
- Core Entity Id
- 76171
- Source Entity Count
- 1
- Preferred Name
- 1-o-galloyl-alpha-l-rhamnose
- Name En
- Pubchem Id
- 87857624
- Smiles Canonical
- CC1C(C(C(C(O1)OC(=O)C2=CC(=C(C(=C2)O)O)O)O)O)O
- Molecular Formula
- C13H16O9
- Molecular Weight
- 316.2620
- Inchikey
- MQMJAAMHVGEVTB-FWMKHJMESA-N
- Inchi
- InChI=1S/C13H16O9/c1-4-8(16)10(18)11(19)13(21-4)22-12(20)5-2-6(14)9(17)7(15)3-5/h2-4,8,10-11,13-19H,1H3/t4-,8-,10+,11+,13-/m0/s1
- Isomeric Smiles
- C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC(=O)C2=CC(=C(C(=C2)O)O)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -1.2123
- Num H Donors
- 6
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.2910
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1-o-galloyl-alpha-l-rhamnose
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1-o-galloyl-alpha-l-rhamnose
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
SCHEMBL5576004
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL5576004
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
SCHEMBL5576004
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN002908
Npass
NPC250457
Tcmid
8117
Pub Chem
87857624
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C13H16O9/c1-4-8(16)10(18)11(19)13(21-4)22-12(20)5-2-6(14)9(17)7(15)3-5/h2-4,8,10-11,13-19H,1H3/t4-,8-,10+,11+,13-/m0/s1
Mol Wt
316.262
Mol Log P
-1.2123
In Ch Ikey
MQMJAAMHVGEVTB-FWMKHJMESA-N
Num Hdonors
6
Drug Likeness
0.291
Num Hacceptors
9
Isomeric Smiles
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC(=O)C2=CC(=C(C(=C2)O)O)O)O)O)O
Canonical Smiles
CC1C(C(C(C(O1)OC(=O)C2=CC(=C(C(=C2)O)O)O)O)O)O
Herb Alias Names
SCHEMBL5576004
Molecular Formula
C13H16O9
Num Rotatable Bonds
2