IngredientID 29699

Phlorofucofuroeckol a

C30H18O14

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Herb: 2Ingredient: 1Reference: 1Target: 3Links: 6

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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 29699
Core Entity Id: 36194
Source Entity Count: 1
Preferred Name: Phlorofucofuroeckol a
Name En
Pubchem Id: 130976
Smiles Canonical: C1=C(C=C(C=C1O)OC2=C(C=C(C3=C2OC4=C3C5=C(C(=C4)O)OC6=C(O5)C(=CC(=C6OC7=CC(=CC(=C7)O)O)O)O)O)O)O
Molecular Formula: C30H18O14
Molecular Weight: 602.4600
Inchikey: SLWPBUMYPRVYIJ-UHFFFAOYSA-N
Inchi: InChI=1S/C30H18O14/c31-10-1-11(32)4-14(3-10)40-24-17(36)7-16(35)22-23-21(42-28(22)24)9-20(39)25-29(23)43-27-19(38)8-18(37)26(30(27)44-25)41-15-5-12(33)2-13(34)6-15/h1-9,31-39H
Isomeric Smiles: C1=C(C=C(C=C1O)OC2=C(C=C(C3=C2OC4=C3C5=C(C(=C4)O)OC6=C(O5)C(=CC(=C6OC7=CC(=CC(=C7)O)O)O)O)O)O)O
Cas Id: 128129-56-6
Ob Score: 28.2890
Mol Logp: 6.4190
Num H Donors: 9
Num H Acceptors: 14
Num Rotatable Bonds: 4
Drug Likeness: 0.1060
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name

Phlorofucofuroeckol A

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Phlorofucofuroeckol A

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Phlorofucofuroeckol A

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Phlorofucofuroeckol A

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Phlorofucofuroeckol a

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Phlorofucofuroeckol a

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

黑昆布

Role

TCM_name

Source

TCMBank

Preferred

Name

HEI KUN BU

Role

TCM_name2

Source

TCMBank

Preferred

Name

Tangle Thallus

Role

TCM_name_en

Source

TCMBank

Preferred

Name

1,11-Di-(3,5-dihydroxyphenoxy)benzofuro(3,2-a)dibenzo(b,e)(1,4)-dioxin-2,4,8,10,14-pentaol

Role

alias

Source

TCMBank

Preferred

Name

1,11-Di-(3,5-dihydroxyphenoxy)benzofuro(3,2-a)dibenzo(b,e)(1,4)-dioxin-2,4,8,10,14-pentaol

Role

alias

Source

HERB_v2

Preferred

Name

1,11-Di-(3,5-dihydroxyphenoxy)benzofuro(3,2-a)dibenzo(b,e)(1,4)-dioxin-2,4,8,10,14-pentaol

Role

alias

Source

itcmdb_public

Preferred

Name

128129-56-6

Role

alias

Source

HERB_v2

Preferred

Name

128129-56-6

Role

alias

Source

TCMBank

Preferred

Name

128129-56-6

Role

alias

Source

itcmdb_public

Preferred

Name

4,9-bis(3,5-dihydroxyphenoxy)-(1)benzofuro(3,2-a)oxanthrene-1,3,6,10,12-pentol

Role

alias

Source

itcmdb_public

Preferred

Name

4,9-bis(3,5-dihydroxyphenoxy)-[1]benzofuro[3,2-a]oxanthrene-1,3,6,10,12-pentol

Role

alias

Source

HERB_v2

Preferred

Name

5,8,13-Trioxaindeno[1,2-a]anthracene-1,3,6,10,12-pentol, 4,9-bis(3,5-dihydroxyphenoxy)-

Role

alias

Source

TCMBank

Preferred

Name

AIDS-209854

Role

alias

Source

TCMBank

Preferred

Name

Benzo(b)benzofuro(3,2-f)(1,4)benzodioxin-1,3,6,10,12-pentol, 4,9-bis(3,5-dihydroxyphenoxy)-

Role

alias

Source

TCMBank

Preferred

Name

Benzo(b)benzofuro(3,2-f)(1,4)benzodioxin-1,3,6,10,12-pentol, 4,9-bis(3,5-dihydroxyphenoxy)-

Role

alias

Source

HERB_v2

Preferred

Name

Benzo(b)benzofuro(3,2-f)(1,4)benzodioxin-1,3,6,10,12-pentol, 4,9-bis(3,5-dihydroxyphenoxy)-

Role

alias

Source

itcmdb_public

Preferred

Name

CHEMBL510508

Role

alias

Source

itcmdb_public

Preferred

Name

CHEMBL510508

Role

alias

Source

HERB_v2

Preferred

Name

DTXSID40155821

Role

alias

Source

itcmdb_public

Preferred

Name

DTXSID40155821

Role

alias

Source

HERB_v2

Preferred

Name

SCHEMBL2230693

Role

alias

Source

itcmdb_public

Preferred

Name

SCHEMBL2230693

Role

alias

Source

HERB_v2

Preferred

Name

phlorofucofuroeckol a

Role

alias

Source

TCMBank

Preferred

Name

phlorofucofuroeckol-A

Role

alias

Source

itcmdb_public

Preferred

Name

phlorofucofuroeckol-A

Role

alias

Source

HERB_v2

Preferred

Aliases

Additional names normalized into the restored final schema.

黑昆布HEI KUN BUTangle Thallus1,11-Di-(3,5-dihydroxyphenoxy)benzofuro(3,2-a)dibenzo(b,e)(1,4)-dioxin-2,4,8,10,14-pentaol128129-56-64,9-bis(3,5-dihydroxyphenoxy)-(1)benzofuro(3,2-a)oxanthrene-1,3,6,10,12-pentol4,9-bis(3,5-dihydroxyphenoxy)-[1]benzofuro[3,2-a]oxanthrene-1,3,6,10,12-pentol5,8,13-Trioxaindeno[1,2-a]anthracene-1,3,6,10,12-pentol, 4,9-bis(3,5-dihydroxyphenoxy)-AIDS-209854Benzo(b)benzofuro(3,2-f)(1,4)benzodioxin-1,3,6,10,12-pentol, 4,9-bis(3,5-dihydroxyphenoxy)-CHEMBL510508DTXSID40155821SCHEMBL2230693phlorofucofuroeckol-A

Cross References

Trusted external identifiers retained for this final record.

Cas

128129-56-6

Herb

HBIN039581

Npass

NPC149846

Tcmid

17159

Tcmsp

MOL010620

Sym Map

SMIT11638

Tcm Id

1795

Pub Chem

130976

Tcmbank

TCMBANKIN048217

Etcm Ingredient

Phlorofucofuroeckol A

Itcmdb Generated

ITX-INGREDIENT-9C29437EBE64

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

In Ch I

InChI=1S/C30H18O14/c31-10-1-11(32)4-14(3-10)40-24-17(36)7-16(35)22-23-21(42-28(22)24)9-20(39)25-29(23)43-27-19(38)8-18(37)26(30(27)44-25)41-15-5-12(33)2-13(34)6-15/h1-9,31-39H

Mol Wt

602.4600000000006

Cas Id

128129-56-6

Mol Log P

6.418999999999997

Version

v1,v2

In Ch Ikey

SLWPBUMYPRVYIJ-UHFFFAOYSA-N

Ob Score

28.28928.2891566128.289157

Suppress

Tcm Name

黑昆布

Tcm Name2

HEI KUN BU

Mol2 Path

/TCM_database/2007_3d_all/17173.mol2

Reference

3204, 4376

Num Hdonors

Tcm Name En

Tangle Thallus

Drug Likeness

0.106

Num Hacceptors

Isomeric Smiles

C1=C(C=C(C=C1O)OC2=C(C=C(C3=C2OC4=C3C5=C(C(=C4)O)OC6=C(O5)C(=CC(=C6OC7=CC(=CC(=C7)O)O)O)O)O)O)O

Molecule Weight

602.48

Canonical Smiles

C1=C(C=C(C=C1O)OC2=C(C=C(C3=C2OC4=C3C5=C(C(=C4)O)OC6=C(O5)C(=CC(=C6OC7=CC(=CC(=C7)O)O)O)O)O)O)O

Herb Alias Names

128129-56-6phlorofucofuroeckol-A4,9-bis(3,5-dihydroxyphenoxy)-[1]benzofuro[3,2-a]oxanthrene-1,3,6,10,12-pentol1,11-Di-(3,5-dihydroxyphenoxy)benzofuro(3,2-a)dibenzo(b,e)(1,4)-dioxin-2,4,8,10,14-pentaolCHEMBL510508DTXSID40155821Benzo(b)benzofuro(3,2-f)(1,4)benzodioxin-1,3,6,10,12-pentol, 4,9-bis(3,5-dihydroxyphenoxy)-4,9-bis(3,5-dihydroxyphenoxy)-(1)benzofuro(3,2-a)oxanthrene-1,3,6,10,12-pentolSCHEMBL2230693

Molecular Weight

602.070

Molecular Weight

602.46

Molecular Formula

C30H18O14

Molecular Formula

C30H18O14

Num Rotatable Bonds

Fda Maximum Daily Dose (Fdamdd)

0.995

Quantitative Estimate Of Drug Likeness（Qed）

0.106