ITCMDBv1
IngredientID 11086

Apigenin 6-c-beta-d-xylopyranosyl-8-c-alpha-l-arabinopyranoside

C25H26O13

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Relationship Network

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Herb: 3Ingredient: 1Links: 3
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
11086
Core Entity Id
15487
Source Entity Count
1
Preferred Name
Apigenin 6-c-beta-d-xylopyranosyl-8-c-alpha-l-arabinopyranoside
Name En
Pubchem Id
162938764
Smiles Canonical
O=c1cc(-c2ccc(O)cc2)oc2c([C@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)c(O)c([C@H]3OC[C@H](O)[C@@H](O)[C@@H]3O)c(O)c12
Molecular Formula
C25H26O13
Molecular Weight
534.0000
Inchikey
LDVNKZYMYPZDAI-NMPDVYMLSA-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
Cas Id
Ob Score
Mol Logp
-1.0000
Num H Donors
9
Num H Acceptors
13
Num Rotatable Bonds
3
Drug Likeness
Polar Surface Area
227.0000
Molecular Volume
317.0000
Alogp
-1.0000

Names

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

Name
Apigenin 6-c-beta-d-xylopyranosyl-8-c-alpha-l-arabinopyranoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Apigenin 6-c-beta-d-xylopyranosyl-8-c-alpha-l-arabinopyranoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Apigenin-6-C--beta-D-xylopyranosyl-8-C--alpha-L-arabinopyranoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
apigenin 6-C-beta-D-xylopyranosyl-8-C-alpha-L-arabinopyranoside
Role
preferred
Source
TCMBank
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
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

Aliases

Additional names normalized into the restored final schema.

Apigenin-6-C--beta-D-xylopyranosyl-8-C--alpha-L-arabinopyranoside紫花地丁Viola yedoensis2.清热药(64-64)heat-clearing medicinal3.清热解毒药(30-30)heat-clearing and detoxicating medicinal

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN016429HBIN016430
Tcmid
150139363
Sym Map
SMIT14337
Tcmbank
TCMBANKIN011879
Etcm Ingredient
Apigenin-6-C--beta-D-xylopyranosyl-8-C--alpha-L-arabinopyranosideapigenin 6-C-beta-D-xylopyranosyl-8-C-alpha-L-arabinopyranosideapigenin,6-c-beta-d-xylopyranosyl-8-c-alpha-l-arabinopyranoside
Itcmdb Generated
ITX-INGREDIENT-440FC5D3ED22ITX-INGREDIENT-6EA200DF45A5ITX-INGREDIENT-75A29E203DC8ITX-INGREDIENT-C5EADC975FBA

Attributes

Merged source attributes and domain-specific metadata.

Alog P
-1
Smiles
c12c(OC(c3c([H])c([H])c(O[H])c([H])c3[H])=C([H])C1=O)c([C@]4([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]([H])(O[H])C([H])([H])O4)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
N Count
0
O Count
13
P Count
0
S Count
0
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-beta-D-xylopyranosyl-8-C-alpha-L-arabinopyranoside.mol2
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
Level1 Name En
heat-clearing medicinal
Level2 Name En
heat-clearing and detoxicating medicinal
Num H Acceptors
13
Molecular Weight
534.140
Molecular Volume
317
Molecular Weight
534
Molecular Formula
C25H26O13
Molecular Formula
C25H26O13
Molecular Formula
C25H26O13
Num Rotatable Bonds
3
Molecular Polar Surface Area
227
Fda Maximum Daily Dose (Fdamdd)
0.0080.020
Quantitative Estimate Of Drug Likeness（Qed）
0.194