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
- 3527
- Core Entity Id
- 7107
- Source Entity Count
- 1
- Preferred Name
- 3,5,7-ttrihydroxylchromone 3-o-beta-d-xylopyra-noside
- Name En
- Pubchem Id
- 71665541
- Smiles Canonical
- C1C(C(C(C(O1)OC2=COC3=CC(=CC(=C3C2=O)O)O)O)O)O
- Molecular Formula
- C14H14O9
- Molecular Weight
- 326.2570
- Inchikey
- OZPUECXAPPJJNO-SHNOVCJGSA-N
- Inchi
- InChI=1S/C14H14O9/c15-5-1-6(16)10-8(2-5)21-4-9(12(10)19)23-14-13(20)11(18)7(17)3-22-14/h1-2,4,7,11,13-18,20H,3H2/t7-,11+,13-,14+/m1/s1
- Isomeric Smiles
- C1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=COC3=CC(=CC(=C3C2=O)O)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -0.9780
- Num H Donors
- 5
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.4690
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3,5,7-ttrihydroxylchromone 3-o-beta-d-xylopyra-noside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3,5,7-ttrihydroxylchromone 3-o-beta-d-xylopyra-noside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
3,5,7-Trihydroxychromone 3-O-??-D-xylopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
3,5,7-Trihydroxychromone 3-O-??-D-xylopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
916204-15-4
Role
alias
Source
HERB_v2
Preferred
No
Name
916204-15-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040763365
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040763365
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL2332670
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL2332670
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3,5,7-Trihydroxychromone 3-O-??-D-xylopyranoside916204-15-4AKOS040763365CHEMBL2332670
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN007586
Npass
NPC131217
Tcmid
22055
Pub Chem
71665541
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C14H14O9/c15-5-1-6(16)10-8(2-5)21-4-9(12(10)19)23-14-13(20)11(18)7(17)3-22-14/h1-2,4,7,11,13-18,20H,3H2/t7-,11+,13-,14+/m1/s1
Mol Wt
326.2569999999999
Mol Log P
-0.9780000000000002
In Ch Ikey
OZPUECXAPPJJNO-SHNOVCJGSA-N
Num Hdonors
5
Drug Likeness
0.469
Num Hacceptors
9
Isomeric Smiles
C1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=COC3=CC(=CC(=C3C2=O)O)O)O)O)O
Canonical Smiles
C1C(C(C(C(O1)OC2=COC3=CC(=CC(=C3C2=O)O)O)O)O)O
Herb Alias Names
916204-15-4CHEMBL2332670AKOS0407633653,5,7-Trihydroxychromone 3-O-??-D-xylopyranoside
Molecular Formula
C14H14O9
Num Rotatable Bonds
2