ITCMDBv1
IngredientID 11081

Apigenin-6-c-alpha-l-arabinopyranosyl-8-c-beta-l-arabinopyranoside

C25H26O13

Back to Browse

Relationship Network

Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

Click a node to open it in a new tab
Herb: 3Ingredient: 1Links: 3
Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
11081
Core Entity Id
15482
Source Entity Count
1
Preferred Name
Apigenin-6-c-alpha-l-arabinopyranosyl-8-c-beta-l-arabinopyranoside
Name En
Pubchem Id
21576179
Smiles Canonical
c12c(OC(c3c([H])c([H])c(O[H])c([H])c3[H])=C([H])C1=O)c([C@@]4([H])OC([H])([H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H])c(O[H])c([C@@]5([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[H])C([H])([H ])O5)c2O[H]
Molecular Formula
C25H26O13
Molecular Weight
534.4700
Inchikey
LDVNKZYMYPZDAI-LTZKYNCBSA-N
Inchi
InChI=1S/C25H26O13/c26-9-3-1-8(2-4-9)13-5-10(27)14-19(32)15(24-21(34)17(30)11(28)6-36-24)20(33)16(23(14)38-13)25-22(35)18(31)12(29)7-37-25/h1-5,11-12,17-18,21-22,24-26,28-35H,6-7H2/t11-,12-,17-,18-,21+,22+,24-,25-/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=C(C=C4)O)[C@H]5[C@@H]([C@H]([C@H](CO5)O)O)O)O)O)O)O
Cas Id
Ob Score
Mol Logp
-1.1152
Num H Donors
9
Num H Acceptors
13
Num Rotatable Bonds
3
Drug Likeness
0.1940
Polar Surface Area
227.0000
Molecular Volume
324.0000
Alogp
-1.0000

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
Apigenin-6-c-alpha-l-arabinopyranosyl-8-c-beta-l-arabinopyranoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Apigenin-6-c-alpha-l-arabinopyranosyl-8-c-beta-l-arabinopyranoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
apigenin 6-C-alpha-L-arabinopyranosyl-8-C-beta-L-arabinopyranoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
apigenin 6-C-alpha-L-arabinopyranosyl-8-C-beta-L-arabinopyranoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
紫花地丁
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Viola yedoensis
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
1ST174563
Role
alias
Source
itcmdb_public
Preferred
No
Name
1ST174563
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
73140-47-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
73140-47-3
Role
alias
Source
HERB_v2
Preferred
No
Name
A-L-arabinopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040734446
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040734446
Role
alias
Source
HERB_v2
Preferred
No
Name
Apigenin 6,8-di-C-
Role
alias
Source
HERB_v2
Preferred
No
Name
Apigenin 6,8-di-C-|A-L-arabinopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
CS-0527745
Role
alias
Source
HERB_v2
Preferred
No
Name
CS-0527745
Role
alias
Source
itcmdb_public
Preferred
No
Name
DA-70991
Role
alias
Source
HERB_v2
Preferred
No
Name
DA-70991
Role
alias
Source
itcmdb_public
Preferred
No
Name
FS-8435
Role
alias
Source
itcmdb_public
Preferred
No
Name
FS-8435
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N10410
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N10410
Role
alias
Source
HERB_v2
Preferred
No
Name
apigenin 6,8-di-c-alpha-l-arabinopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
apigenin 6,8-di-c-alpha-l-arabinopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
2.清热药(64-64)
Role
level1_name
Source
TCMBank
Preferred
No
Name
heat-clearing medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
3.清热解毒药(30-30)
Role
level2_name
Source
TCMBank
Preferred
No
Name
heat-clearing and detoxicating medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Name
6,8-di-c-alpha-l-arabinosylapigenin
Role
preferred
Source
itcmdb_public
Preferred
Yes

Aliases

Additional names normalized into the restored final schema.

apigenin 6-C-alpha-L-arabinopyranosyl-8-C-beta-L-arabinopyranoside紫花地丁Viola yedoensis1ST1745635,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one73140-47-3A-L-arabinopyranosideAKOS040734446Apigenin 6,8-di-C-Apigenin 6,8-di-C-|A-L-arabinopyranosideCS-0527745DA-70991FS-8435HY-N10410apigenin 6,8-di-c-alpha-l-arabinopyranoside2.清热药(64-64)heat-clearing medicinal3.清热解毒药(30-30)heat-clearing and detoxicating medicinal6,8-di-c-alpha-l-arabinosylapigenin

Cross References

Trusted external identifiers retained for this final record.

Cas
73140-47-3
Herb
HBIN016424HBIN012108
Tcmid
148042802
Tcmsp
MOL000466
Sym Map
SMIT14328SMIT03065
Pub Chem
21576179
Tcmbank
TCMBANKIN031394
Etcm Ingredient
apigenin 6-C-alpha-L-arabinopyranosyl-8-C-beta-L-arabinopyranoside
Itcmdb Generated
ITX-INGREDIENT-22ABF4EE2194ITX-INGREDIENT-6FD5C2639358

Attributes

Merged source attributes and domain-specific metadata.

Alog P
-1
In Ch I
InChI=1S/C25H26O13/c26-9-3-1-8(2-4-9)13-5-10(27)14-19(32)15(24-21(34)17(30)11(28)6-36-24)20(33)16(23(14)38-13)25-22(35)18(31)12(29)7-37-25/h1-5,11-12,17-18,21-22,24-26,28-35H,6-7H2/t11-,12-,17-,18-,21+,22+,24-,25-/m0/s1
Mol Wt
534.4700000000003
Smiles
c12c(OC(c3c([H])c([H])c(O[H])c([H])c3[H])=C([H])C1=O)c([C@@]4([H])OC([H])([H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H])c(O[H])c([C@@]5([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[H])C([H])([H ])O5)c2O[H]
37 Flag
37
C Count
25
Mol Log P
-1.115200000000001
N Count
0
O Count
13
P Count
0
S Count
0
In Ch Ikey
LDVNKZYMYPZDAI-LTZKYNCBSA-N
Tcm Name
紫花地丁
Mol2 Path
/TCM_database/2.清热药(64-64)/3.清热解毒药(30-30)/紫花地丁/structure/apigenin 6-C-alpha-L-arabinopyranosyl-8-C-beta-L-arabinopyranoside.mol2
Num Hdonors
9
Tcm Name En
Viola yedoensis
Level1 Name
2.清热药(64-64)
Level2 Name
3.清热解毒药(30-30)
Num H Donors
9
Drug Likeness
0.194
Num Hacceptors
13
Level1 Name En
heat-clearing medicinal
Level2 Name En
heat-clearing and detoxicating medicinal
Isomeric Smiles
C1[C@@H]([C@@H]([C@H]([C@@H](O1)C2=C(C(=C3C(=C2O)C(=O)C=C(O3)C4=CC=C(C=C4)O)[C@H]5[C@@H]([C@H]([C@H](CO5)O)O)O)O)O)O)O
Num H Acceptors
13
Canonical Smiles
C1C(C(C(C(O1)C2=C(C(=C3C(=C2O)C(=O)C=C(O3)C4=CC=C(C=C4)O)C5C(C(C(CO5)O)O)O)O)O)O)O
Herb Alias Names
apigenin 6,8-di-c-alpha-l-arabinopyranoside73140-47-3Apigenin 6,8-di-C-|A-L-arabinopyranoside5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-oneHY-N10410AKOS040734446FS-8435DA-709911ST174563CS-0527745
Molecular Weight
534.140
Molecular Volume
324
Molecular Weight
534
Molecular Formula
C25H26O13
Molecular Formula
C25H26O13
Molecular Formula
C25H26O13
Num Rotatable Bonds
3
Num Rotatable Bonds
3
Molecular Polar Surface Area
227
Fda Maximum Daily Dose (Fdamdd)
0.028
Quantitative Estimate Of Drug Likeness（Qed）
0.194