Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 376
- Core Entity Id
- 3611
- Source Entity Count
- 1
- Preferred Name
- 2,3,5,4'-tetrahydroxystilbene-2,3-o-beta-d-digluco-side
- Name En
- Pubchem Id
- 5321886
- Smiles Canonical
- C1=CC(=CC=C1C=CC2=C(C(=CC(=C2)O)OC3C(C(C(C(O3)CO)O)O)O)OC4C(C(C(C(O4)CO)O)O)O)O
- Molecular Formula
- C26H32O14
- Molecular Weight
- 568.5280
- Inchikey
- JIDQTNPRNYPBCR-NOAXIPAFSA-N
- Inchi
- InChI=1S/C26H32O14/c27-9-16-18(31)20(33)22(35)25(38-16)37-15-8-14(30)7-12(4-1-11-2-5-13(29)6-3-11)24(15)40-26-23(36)21(34)19(32)17(10-28)39-26/h1-8,16-23,25-36H,9-10H2/b4-1+/t16-,17-,18-,19-,20+,21+,22-,23-,25-,26+/m1/s1
- Isomeric Smiles
- C1=CC(=CC=C1/C=C/C2=C(C(=CC(=C2)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -2.3744
- Num H Donors
- 10
- Num H Acceptors
- 14
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.1500
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,3,5,4'-tetrahydroxystilbene-2,3-o-beta-d-digluco-side
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2,3,5,4'-tetrahydroxystilbene-2,3-o-beta-d-digluco-side
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
CHEMBL5268608
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL5268608
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
CHEMBL5268608
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN003903
Npass
NPC260681
Tcmid
2114332044
Pub Chem
5321886
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C26H32O14/c27-9-16-18(31)20(33)22(35)25(38-16)37-15-8-14(30)7-12(4-1-11-2-5-13(29)6-3-11)24(15)40-26-23(36)21(34)19(32)17(10-28)39-26/h1-8,16-23,25-36H,9-10H2/b4-1+/t16-,17-,18-,19-,20+,21+,22-,23-,25-,26+/m1/s1
Mol Wt
568.5280000000004
Mol Log P
-2.374399999999998
In Ch Ikey
JIDQTNPRNYPBCR-NOAXIPAFSA-N
Num Hdonors
10
Drug Likeness
0.15
Num Hacceptors
14
Isomeric Smiles
C1=CC(=CC=C1/C=C/C2=C(C(=CC(=C2)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
Canonical Smiles
C1=CC(=CC=C1C=CC2=C(C(=CC(=C2)O)OC3C(C(C(C(O3)CO)O)O)O)OC4C(C(C(C(O4)CO)O)O)O)O
Herb Alias Names
CHEMBL5268608
Molecular Formula
C26H32O14
Num Rotatable Bonds
8