Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 2Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 23531
- Core Entity Id
- 29340
- Source Entity Count
- 1
- Preferred Name
- Kaempferol-3-o-alpha-l-rhamnosyl(1→2)-beta-d-xyloside
- Name En
- Pubchem Id
- 57401109
- Smiles Canonical
- CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(CO4)O)O)O)C5=CC=C(C=C5)O)O)O)O)O
- Molecular Formula
- C26H28O14
- Molecular Weight
- 564.4960
- Inchikey
- DQBVFTJNUYZVQL-CLFUFSEMSA-N
- Inchi
- InChI=1S/C26H28O14/c1-9-17(30)20(33)22(35)26(37-9)38-12-6-13(28)16-15(7-12)39-23(10-2-4-11(27)5-3-10)24(19(16)32)40-25-21(34)18(31)14(29)8-36-25/h2-7,9,14,17-18,20-22,25-31,33-35H,8H2,1H3/t9-,14-,17-,18-,20+,21+,22+,25-,26-/m0/s1
- Isomeric Smiles
- C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O[C@H]4[C@@H]([C@H]([C@H](CO4)O)O)O)C5=CC=C(C=C5)O)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -1.1047
- Num H Donors
- 8
- Num H Acceptors
- 14
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.1840
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Kaempferol-3-o-alpha-l-rhamnosyl(1→2)-beta-d-xyloside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Kaempferol-3-o-alpha-l-rhamnosyl(1→2)-beta-d-xyloside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
3-(alpha-L-arabinopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-deoxy-alpha-L-mannopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(alpha-L-arabinopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-deoxy-alpha-L-mannopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
71801-96-2
Role
alias
Source
HERB_v2
Preferred
No
Name
71801-96-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040734469
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040734469
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM50359310
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM50359310
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:68878
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:68878
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1929026
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL1929026
Role
alias
Source
itcmdb_public
Preferred
No
Name
Compound NP-023300
Role
alias
Source
itcmdb_public
Preferred
No
Name
Compound NP-023300
Role
alias
Source
HERB_v2
Preferred
No
Name
kaempferol 3-O-alpha-L-arabinopyranosyl-7-O-alpha-L-rhamnopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
kaempferol 3-O-alpha-L-arabinopyranosyl-7-O-alpha-L-rhamnopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3-(alpha-L-arabinopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-deoxy-alpha-L-mannopyranoside5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one71801-96-2AKOS040734469BDBM50359310CHEBI:68878CHEMBL1929026Compound NP-023300kaempferol 3-O-alpha-L-arabinopyranosyl-7-O-alpha-L-rhamnopyranoside
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN031857
Npass
NPC276377
Tcmid
1208612087
Pub Chem
57401109
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C26H28O14/c1-9-17(30)20(33)22(35)26(37-9)38-12-6-13(28)16-15(7-12)39-23(10-2-4-11(27)5-3-10)24(19(16)32)40-25-21(34)18(31)14(29)8-36-25/h2-7,9,14,17-18,20-22,25-31,33-35H,8H2,1H3/t9-,14-,17-,18-,20+,21+,22+,25-,26-/m0/s1
Mol Wt
564.4960000000003
Mol Log P
-1.1047
In Ch Ikey
DQBVFTJNUYZVQL-CLFUFSEMSA-N
Num Hdonors
8
Drug Likeness
0.184
Num Hacceptors
14
Isomeric Smiles
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O[C@H]4[C@@H]([C@H]([C@H](CO4)O)O)O)C5=CC=C(C=C5)O)O)O)O)O
Canonical Smiles
CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(CO4)O)O)O)C5=CC=C(C=C5)O)O)O)O)O
Herb Alias Names
CHEBI:68878kaempferol 3-O-alpha-L-arabinopyranosyl-7-O-alpha-L-rhamnopyranosideCHEMBL192902671801-96-25-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one3-(alpha-L-arabinopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-deoxy-alpha-L-mannopyranoside5-hydroxy-2-(4-hydroxyphenyl)-7-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-3-((2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl)oxychromen-4-oneCompound NP-023300BDBM50359310AKOS040734469
Molecular Formula
C26H28O14
Num Rotatable Bonds
5