IngredientID 34920

Terrestrin f

C36H26O10

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: 1Ingredient: 1Links: 1

Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 34920
Core Entity Id: 42001
Source Entity Count: 1
Preferred Name: Terrestrin f
Name En
Pubchem Id: 101743855
Smiles Canonical: CC(=O)OC1=C(C2=C(C(=C1C3=CC=C(C=C3)O)OC(=O)CC4=CC=CC=C4)OC5=CC(=C(C=C52)O)O)OC(=O)CC6=CC=CC=C6
Molecular Formula: C36H26O10
Molecular Weight: 618.5940
Inchikey: YLVDTLQWSZYGIN-UHFFFAOYSA-N
Inchi: InChI=1S/C36H26O10/c1-20(37)43-33-31(23-12-14-24(38)15-13-23)34(45-29(41)16-21-8-4-2-5-9-21)35-32(25-18-26(39)27(40)19-28(25)44-35)36(33)46-30(42)17-22-10-6-3-7-11-22/h2-15,18-19,38-40H,16-17H2,1H3
Isomeric Smiles: CC(=O)OC1=C(C2=C(C(=C1C3=CC=C(C=C3)O)OC(=O)CC4=CC=CC=C4)OC5=CC(=C(C=C52)O)O)OC(=O)CC6=CC=CC=C6
Cas Id
Ob Score
Mol Logp: 6.5913
Num H Donors: 3
Num H Acceptors: 10
Num Rotatable Bonds: 8
Drug Likeness: 0.0970
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name

Terrestrin f

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Terrestrin f

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

terrestrin f

Role

preferred

Source

TCMBank

Preferred

Yes

Name

(2-acetyloxy-7,8-dihydroxy-3-(4-hydroxyphenyl)-1-(2-phenylacetyl)oxydibenzofuran-4-yl) 2-phenylacetate

Role

alias

Source

HERB_v2

Preferred

Name

4-(Acetyloxy)-11,12-dihydroxy-5-(4-hydroxyphenyl)-3-((2-phenylacetyl)oxy)-8-oxatricyclo(7.4.0.0,)trideca-1(9),2(7),3,5,10,12-hexaen-6-yl 2-phenylacetic acid

Role

alias

Source

itcmdb_public

Preferred

Name

4-(Acetyloxy)-11,12-dihydroxy-5-(4-hydroxyphenyl)-3-((2-phenylacetyl)oxy)-8-oxatricyclo(7.4.0.0,)trideca-1(9),2(7),3,5,10,12-hexaen-6-yl 2-phenylacetic acid

Role

alias

Source

HERB_v2

Preferred

Name

858134-28-8

Role

alias

Source

HERB_v2

Preferred

Name

858134-28-8

Role

alias

Source

itcmdb_public

Preferred

Name

CHEBI:227508

Role

alias

Source

itcmdb_public

Preferred

Name

CHEBI:227508

Role

alias

Source

HERB_v2

Preferred

Name

[2-acetyloxy-7,8-dihydroxy-3-(4-hydroxyphenyl)-1-(2-phenylacetyl)oxydibenzofuran-4-yl] 2-phenylacetate

Role

alias

Source

itcmdb_public

Preferred

Name

[2-acetyloxy-7,8-dihydroxy-3-(4-hydroxyphenyl)-1-(2-phenylacetyl)oxydibenzouran-4-yl] 2-phenylacetate

Role

alias

Source

itcmdb_public

Preferred

Name

[2-acetyloxy-7,8-dihydroxy-3-(4-hydroxyphenyl)-1-(2-phenylacetyl)oxydibenzouran-4-yl] 2-phenylacetate

Role

alias

Source

HERB_v2

Preferred

Aliases

Additional names normalized into the restored final schema.

(2-acetyloxy-7,8-dihydroxy-3-(4-hydroxyphenyl)-1-(2-phenylacetyl)oxydibenzofuran-4-yl) 2-phenylacetate4-(Acetyloxy)-11,12-dihydroxy-5-(4-hydroxyphenyl)-3-((2-phenylacetyl)oxy)-8-oxatricyclo(7.4.0.0,)trideca-1(9),2(7),3,5,10,12-hexaen-6-yl 2-phenylacetic acid858134-28-8CHEBI:227508[2-acetyloxy-7,8-dihydroxy-3-(4-hydroxyphenyl)-1-(2-phenylacetyl)oxydibenzofuran-4-yl] 2-phenylacetate[2-acetyloxy-7,8-dihydroxy-3-(4-hydroxyphenyl)-1-(2-phenylacetyl)oxydibenzouran-4-yl] 2-phenylacetate

Cross References

Trusted external identifiers retained for this final record.

Herb

HBIN045995

Npass

NPC99245

Tcmid

20995

Pub Chem

101743855

Tcmbank

TCMBANKIN037439

Attributes

Merged source attributes and domain-specific metadata.

In Ch I

InChI=1S/C36H26O10/c1-20(37)43-33-31(23-12-14-24(38)15-13-23)34(45-29(41)16-21-8-4-2-5-9-21)35-32(25-18-26(39)27(40)19-28(25)44-35)36(33)46-30(42)17-22-10-6-3-7-11-22/h2-15,18-19,38-40H,16-17H2,1H3

Mol Wt

618.5940000000002

Smiles

CC(=O)OC1=C(C2=C(C(=C1C3=CC=C(C=C3)O)OC(=O)CC4=CC=CC=C4)OC5=CC(=C(C=C52)O)O)OC(=O)CC6=CC=CC=C6

Mol Log P

6.591300000000008

In Ch Ikey

YLVDTLQWSZYGIN-UHFFFAOYSA-N

Mol2 Path

/TCM_database/2007_3d_all/21011.mol2

Reference

5276

Num Hdonors

Drug Likeness

0.097

Num Hacceptors

Isomeric Smiles

CC(=O)OC1=C(C2=C(C(=C1C3=CC=C(C=C3)O)OC(=O)CC4=CC=CC=C4)OC5=CC(=C(C=C52)O)O)OC(=O)CC6=CC=CC=C6

Canonical Smiles

CC(=O)OC1=C(C2=C(C(=C1C3=CC=C(C=C3)O)OC(=O)CC4=CC=CC=C4)OC5=CC(=C(C=C52)O)O)OC(=O)CC6=CC=CC=C6

Herb Alias Names

(2-acetyloxy-7,8-dihydroxy-3-(4-hydroxyphenyl)-1-(2-phenylacetyl)oxydibenzofuran-4-yl) 2-phenylacetate[2-acetyloxy-7,8-dihydroxy-3-(4-hydroxyphenyl)-1-(2-phenylacetyl)oxydibenzofuran-4-yl] 2-phenylacetate4-(Acetyloxy)-11,12-dihydroxy-5-(4-hydroxyphenyl)-3-((2-phenylacetyl)oxy)-8-oxatricyclo(7.4.0.0,)trideca-1(9),2(7),3,5,10,12-hexaen-6-yl 2-phenylacetic acid4-(Acetyloxy)-11,12-dihydroxy-5-(4-hydroxyphenyl)-3-[(2-phenylacetyl)oxy]-8-oxatricyclo[7.4.0.0,]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl 2-phenylacetic acidCHEBI:227508[2-acetyloxy-7,8-dihydroxy-3-(4-hydroxyphenyl)-1-(2-phenylacetyl)oxydibenzouran-4-yl] 2-phenylacetate858134-28-8

Molecular Weight

618.6 g/mol

Molecular Formula

C36H26O10

Molecular Formula

C36H26O10

Num Rotatable Bonds