IngredientID 6795

5alpha-cinnamoyloxy-10beta-hydroxy-2alpha,9alpha,13alpha-tri-acetoxytaxa-4(20),11-diene

C35H44O9

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: 2Ingredient: 1Links: 2

Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 6795
Core Entity Id: 10733
Source Entity Count: 1
Preferred Name: 5alpha-cinnamoyloxy-10beta-hydroxy-2alpha,9alpha,13alpha-tri-acetoxytaxa-4(20),11-diene
Name En
Pubchem Id: 162939564
Smiles Canonical: C=C1[C@@H](OC(=O)/C=C\c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C
Molecular Formula: C35H44O9
Molecular Weight: 608.3000
Inchikey: ATFWAVIPCBNDCK-BAFPVZEKSA-N
Inchi: InChI=1S/C35H44O9/c1-19-26(44-28(39)15-14-24-12-10-9-11-13-24)16-17-35(8)30(19)32(42-22(4)37)25-18-27(41-21(3)36)20(2)29(34(25,6)7)31(40)33(35)43-23(5)38/h9-15,25-27,30-33,40H,1,16-18H2,2-8H3/b15-14-/t25-,26-,27-,30-,31+,32+,33-,35+/m0/s1
Isomeric Smiles
Cas Id
Ob Score
Mol Logp: 4.1000
Num H Donors: 1
Num H Acceptors: 9
Num Rotatable Bonds: 10
Drug Likeness
Polar Surface Area: 125.0000
Molecular Volume
Alogp

Names

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

Name

5alpha-Cinnamoyloxy-10beta-hydroxy-2alpha,9alpha,13alpha-triacetoxytaxa-4 (20),11-diene

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

5alpha-Cinnamoyloxy-10beta-hydroxy-2alpha,9alpha,13alpha-triacetoxytaxa-4 (20),11-diene

Role

preferred

Source

TCMBank

Preferred

Yes

Name

5alpha-cinnamoyloxy-10beta-hydroxy-2alpha,9alpha,13alpha-tri-acetoxytaxa-4(20),11-diene

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

5alpha-cinnamoyloxy-10beta-hydroxy-2alpha,9alpha,13alpha-tri-acetoxytaxa-4(20),11-diene

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

红豆杉

Role

TCM_name

Source

TCMBank

Preferred

Name

HONG DOU SHAN

Role

TCM_name2

Source

TCMBank

Preferred

Name

Chinese Yew

Role

TCM_name_en

Source

TCMBank

Preferred

Name

5alpha-cinnamoyloxy-10beta-hydroxy-2alpha,9alpha,13alpha-triacetoxytaxa-4(20),11-diene

Role

alias

Source

itcmdb_public

Preferred

Name

5alpha-cinnamoyloxy-10beta-hydroxy-2alpha,9alpha,13alpha-triacetoxytaxa-4(20),11-diene

Role

alias

Source

HERB_v2

Preferred

Aliases

Additional names normalized into the restored final schema.

5alpha-Cinnamoyloxy-10beta-hydroxy-2alpha,9alpha,13alpha-triacetoxytaxa-4 (20),11-diene红豆杉HONG DOU SHANChinese Yew5alpha-cinnamoyloxy-10beta-hydroxy-2alpha,9alpha,13alpha-triacetoxytaxa-4(20),11-diene

Cross References

Trusted external identifiers retained for this final record.

Herb

HBIN011410

Tcmid

307903716

Tcmbank

TCMBANKIN032884

Etcm Ingredient

5alpha-Cinnamoyloxy-10beta-hydroxy-2alpha,9alpha,13alpha-triacetoxytaxa-4 (20),11-diene

Itcmdb Generated

ITX-INGREDIENT-1055B90E3894ITX-INGREDIENT-2B528E8ABC48

Attributes

Merged source attributes and domain-specific metadata.

Smiles

C1(=C([C@@]([H])(OC(=O)C([H])([H])[H])C2([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])[C@]2([H])[C@@]([H])(OC(=O)C([H])([H])[H])[C@]([H])(C(=C([H])[H])[C@@]([H])(OC(\C([H])=C([H])/c3c([H])c ([H])c([H])c([H])c3[H])=O)C([H])([H])C4([H])[H])[C@]4(C([H])([H])[H])[C@@]([H])(OC(C([H])([H])[H])=O)[C@]1([H])O[H]

Tcm Name

红豆杉

Tcm Name2

HONG DOU SHAN

Mol2 Path

/TCM_database/2003_3d_all/1443.mol2

Reference

662

Tcm Name En

Chinese Yew

Herb Alias Names

5alpha-cinnamoyloxy-10beta-hydroxy-2alpha,9alpha,13alpha-triacetoxytaxa-4(20),11-diene

Molecular Weight

608.300

Molecular Formula

C35H44O9

Molecular Formula

C35H44O9

Molecular Formula

C35H44O9

Fda Maximum Daily Dose (Fdamdd)

0.977

Quantitative Estimate Of Drug Likeness（Qed）

0.203