IngredientID 7545
6-c-arabinopyranosyl-8-c-glucopyranosyl-5,7-dihydroxyflavone
C26H28O13
Relationship Network
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Herb: 2Ingredient: 1Target: 1Links: 4
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 7545
- Core Entity Id
- 11567
- Source Entity Count
- 1
- Preferred Name
- 6-c-arabinopyranosyl-8-c-glucopyranosyl-5,7-dihydroxyflavone
- Name En
- Pubchem Id
- 21722008
- Smiles Canonical
- C1C(C(C(C(O1)C2=C(C3=C(C(=C2O)C4C(C(C(C(O4)CO)O)O)O)OC(=CC3=O)C5=CC=CC=C5)O)O)O)O
- Molecular Formula
- C26H28O13
- Molecular Weight
- 548.4970
- Inchikey
- NZZNHGSHLAHPCG-VYUBKLCTSA-N
- Inchi
- InChI=1S/C26H28O13/c27-7-13-18(31)21(34)23(36)26(39-13)16-20(33)15(25-22(35)17(30)11(29)8-37-25)19(32)14-10(28)6-12(38-24(14)16)9-4-2-1-3-5-9/h1-6,11,13,17-18,21-23,25-27,29-36H,7-8H2/t11-,13+,17-,18+,21-,22+,23+,25-,26-/m0/s1
- Isomeric Smiles
- C1[C@@H]([C@@H]([C@H]([C@@H](O1)C2=C(C(=C3C(=C2O)C(=O)C=C(O3)C4=CC=CC=C4)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -1.4599
- Num H Donors
- 9
- Num H Acceptors
- 13
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.1820
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6-C-Arabinopyranosyl-8-C-Glucopyranosyl-5,7-Dihydroxyflavone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
6-C-Arabinopyranosyl-8-C-Glucopyranosyl-5,7-Dihydroxyflavone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
6-C-Arabinopyranosyl-8-C-glucopyranosyl-5,7-dihydroxyflavone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
6-c-arabinopyranosyl-8-c-glucopyranosyl-5,7-dihydroxyflavone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
6-c-arabinopyranosyl-8-c-glucopyranosyl-5,7-dihydroxyflavone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
6-c-arabinopyranosyl-8-c-glucopyranosyl-5,7-dihydroxyflavone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
185145-33-9
Role
alias
Source
HERB_v2
Preferred
No
Name
185145-33-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-dihydroxy-2-phenyl-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-dihydroxy-2-phenyl-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040760325
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040760325
Role
alias
Source
itcmdb_public
Preferred
No
Name
Chrysin 6-C-arabinoside 8-C-glucoside
Role
alias
Source
HERB_v2
Preferred
No
Name
Chrysin 6-C-arabinoside 8-C-glucoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
Chrysin 6-c-I+--L-arabinopyranoside-8-c-glucoside
Role
alias
Source
HERB_v2
Preferred
No
Name
Chrysin 6-c-I+--L-arabinopyranoside-8-c-glucoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
Chrysin 6-c-a-L-arabinopyranoside-8-c-glucoside
Role
alias
Source
HERB_v2
Preferred
No
Name
Chrysin 6-c-a-L-arabinopyranoside-8-c-glucoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
Chrysina6-C-arabinosidea8-C-glucoside
Role
alias
Source
HERB_v2
Preferred
No
Name
Chrysina6-C-arabinosidea8-C-glucoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
E87098
Role
alias
Source
itcmdb_public
Preferred
No
Name
E87098
Role
alias
Source
HERB_v2
Preferred
No
Name
FS-7639
Role
alias
Source
itcmdb_public
Preferred
No
Name
FS-7639
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
185145-33-95,7-dihydroxy-2-phenyl-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-oneAKOS040760325Chrysin 6-C-arabinoside 8-C-glucosideChrysin 6-c-I+--L-arabinopyranoside-8-c-glucosideChrysin 6-c-a-L-arabinopyranoside-8-c-glucosideChrysina6-C-arabinosidea8-C-glucosideE87098FS-7639
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN012285
Tcmid
1568
Sym Map
SMIT14345
Pub Chem
21722008
Tcmbank
TCMBANKIN046828
Etcm Ingredient
6-C-Arabinopyranosyl-8-C-glucopyranosyl-5,7-dihydroxyflavone
Itcmdb Generated
ITX-INGREDIENT-EDECF17A45AE
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C26H28O13/c27-7-13-18(31)21(34)23(36)26(39-13)16-20(33)15(25-22(35)17(30)11(29)8-37-25)19(32)14-10(28)6-12(38-24(14)16)9-4-2-1-3-5-9/h1-6,11,13,17-18,21-23,25-27,29-36H,7-8H2/t11-,13+,17-,18+,21-,22+,23+,25-,26-/m0/s1
Mol Wt
548.4970000000003
Smiles
C1C(C(C(C(O1)C2=C(C3=C(C(=C2O)C4C(C(C(C(O4)CO)O)O)O)OC(=CC3=O)C5=CC=CC=C5)O)O)O)O
Mol Log P
-1.459900000000001
Version
v1,v2
In Ch Ikey
NZZNHGSHLAHPCG-VYUBKLCTSA-N
Suppress
0
Mol2 Path
/TCM_database/2007_3d_all/01568.mol2
Reference
1557
Num Hdonors
9
Drug Likeness
0.182
Num Hacceptors
13
Isomeric Smiles
C1[C@@H]([C@@H]([C@H]([C@@H](O1)C2=C(C(=C3C(=C2O)C(=O)C=C(O3)C4=CC=CC=C4)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O
Canonical Smiles
C1C(C(C(C(O1)C2=C(C(=C3C(=C2O)C(=O)C=C(O3)C4=CC=CC=C4)C5C(C(C(C(O5)CO)O)O)O)O)O)O)O
Herb Alias Names
Chrysin 6-C-arabinoside 8-C-glucoside185145-33-95,7-dihydroxy-2-phenyl-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one5,7-dihydroxy-2-phenyl-8-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)-6-((2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl)chromen-4-oneAKOS040760325Chrysina6-C-arabinosidea8-C-glucosideFS-7639E87098Chrysin 6-c-a-L-arabinopyranoside-8-c-glucosideChrysin 6-c-I+--L-arabinopyranoside-8-c-glucoside
Molecular Weight
548.150
Molecule Formula
C26H28O13
Molecular Formula
C26H28O13
Molecular Formula
C26H28O13
Molecular Formula
C26H28O13
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.004
Quantitative Estimate Of Drug Likeness（Qed）
0.182