IngredientID 3363

3,4-dihydroxyallylbenzene4-o-[alpha-l-rhamnopyranosyl-(1→6)]-beta-d-glucopyranoside

C21H30O11

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Herb: 1Ingredient: 1Links: 1

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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 3363
Core Entity Id: 6924
Source Entity Count: 1
Preferred Name: 3,4-dihydroxyallylbenzene4-o-[alpha-l-rhamnopyranosyl-(1→6)]-beta-d-glucopyranoside
Name En
Pubchem Id: 11972337
Smiles Canonical: C=CCc1ccc(O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1
Molecular Formula: C21H30O11
Molecular Weight: 458.1800
Inchikey: NJQNQSXHTVMRPO-NUASCYGXSA-N
Inchi: InChI=1S/C21H30O11/c1-3-4-10-5-6-12(11(22)7-10)31-21-19(28)17(26)15(24)13(32-21)8-29-20-18(27)16(25)14(23)9(2)30-20/h3,5-7,9,13-28H,1,4,8H2,2H3/t9-,13+,14-,15+,16+,17-,18+,19+,20+,21+/m0/s1
Isomeric Smiles
Cas Id
Ob Score
Mol Logp: -1.2000
Num H Donors: 7
Num H Acceptors: 11
Num Rotatable Bonds: 7
Drug Likeness
Polar Surface Area: 179.0000
Molecular Volume
Alogp

Names

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

Name

3,4-Dihydroxyallylbenzene 4-O-[Alpha-L-Rhamnopyranosyl-(1-6)]-Beta-D-Glucopyranoside

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

3,4-Dihydroxyallylbenzene 4-O-[alpha-L-rhamnopyranosyl-(1-6)]-beta-D-glucopyranoside

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

3,4-Dihydroxyallylbenzene 4-O-[alpha-L-rhamnopyranosyl-(1-6)]-beta-D-glucopyranoside

Role

preferred

Source

TCMBank

Preferred

Yes

Name

3,4-dihydroxyallylbenzene4-o-[alpha-l-rhamnopyranosyl-(1→6)]-beta-d-glucopyranoside

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

3,4-dihydroxyallylbenzene4-o-[alpha-l-rhamnopyranosyl-(1→6)]-beta-d-glucopyranoside

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

剑叶龙血树

Role

TCM_name

Source

TCMBank

Preferred

Name

JIAN YE LONG XUE SHU

Role

TCM_name2

Source

TCMBank

Preferred

Name

Swordleaf Dracaena

Role

TCM_name_en

Source

TCMBank

Preferred

Name

1-0-(6-o-a-l-rhamnopyranosy-beta-d-glucopyranosyl)-2-hydroxy-4-allylbenzene

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

2-Hydroxy-4-(2-propen-1-yl)phenyl 6-O-(6-deoxy-I+/--L-mannopyranosyl)-I(2)-D-glucopyranoside

Role

alias

Source

HERB_v2

Preferred

Name

267668-14-4

Role

alias

Source

HERB_v2

Preferred

Name

ACon1_001804

Role

alias

Source

HERB_v2

Preferred

Name

BRD-K66741433-001-01-0

Role

alias

Source

HERB_v2

Preferred

Name

DTXSID301126967

Role

alias

Source

HERB_v2

Preferred

Name

NCGC00180122-01

Role

alias

Source

HERB_v2

Preferred

Aliases

Additional names normalized into the restored final schema.

3,4-Dihydroxyallylbenzene 4-O-[Alpha-L-Rhamnopyranosyl-(1-6)]-Beta-D-Glucopyranoside剑叶龙血树JIAN YE LONG XUE SHUSwordleaf Dracaena1-0-(6-o-a-l-rhamnopyranosy-beta-d-glucopyranosyl)-2-hydroxy-4-allylbenzene2-Hydroxy-4-(2-propen-1-yl)phenyl 6-O-(6-deoxy-I+/--L-mannopyranosyl)-I(2)-D-glucopyranoside267668-14-4ACon1_001804BRD-K66741433-001-01-0DTXSID301126967NCGC00180122-01

Cross References

Trusted external identifiers retained for this final record.

Herb

HBIN007384HBIN000214

Tcmid

57533047236608

Sym Map

SMIT19081

Pub Chem

11972337

Tcmbank

TCMBANKIN006946

Etcm Ingredient

3,4-Dihydroxyallylbenzene 4-O-[-alpha-L-rhamnopyranosyl-(1->6)]--beta-D-glucopyranoside3,4-Dihydroxyallylbenzene 4-O-[alpha-L-rhamnopyranosyl-(1-6)]-beta-D-glucopyranoside

Itcmdb Generated

ITX-INGREDIENT-0A67B917405EITX-INGREDIENT-6477B3618FC5ITX-INGREDIENT-F766899C06A3

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

Smiles

[C@@]1([H])(O[H])[C@]([H])(C([H])([H])[H])O[C@@]([H])(OC([H])([H])[C@@]2([H])O[C@@]([H])(Oc3c(O[H])c([H])c(C([H])([H])C([H])=C([H])[H])c([H])c3[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])[C@]([H ])(O[H])[C@]1([H])O[H]

Version

v1,v2

Suppress

Tcm Name

剑叶龙血树

Tcm Name2

JIAN YE LONG XUE SHU

Mol2 Path

/TCM_database/2003_3d_all/2381.mol2

Reference

832

Tcm Name En

Swordleaf Dracaena

Molecular Weight

458.180

Molecular Formula

C21H30O11

Molecular Formula

C21H30O11

Molecular Formula

C21H30O11

Fda Maximum Daily Dose (Fdamdd)

0.0070.008

Quantitative Estimate Of Drug Likeness（Qed）

0.228