Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 19457
- Core Entity Id
- 24808
- Source Entity Count
- 1
- Preferred Name
- Fucaxanthone a
- Name En
- Pubchem Id
- 5324264
- Smiles Canonical
- CC(=CCCC(=CCC1=C(C(=CC2=C1C(=O)C3=C(C4=C(C=C3O2)OC(C=C4)(C)C)O)O)OC)C)C
- Molecular Formula
- C29H32O6
- Molecular Weight
- 476.5690
- Inchikey
- XDMFZDJOFFBFDK-LICLKQGHSA-N
- Inchi
- InChI=1S/C29H32O6/c1-16(2)8-7-9-17(3)10-11-19-24-22(14-20(30)28(19)33-6)34-23-15-21-18(12-13-29(4,5)35-21)26(31)25(23)27(24)32/h8,10,12-15,30-31H,7,9,11H2,1-6H3/b17-10+
- Isomeric Smiles
- CC(=CCC/C(=C/CC1=C(C(=CC2=C1C(=O)C3=C(C4=C(C=C3O2)OC(C=C4)(C)C)O)O)OC)/C)C
- Cas Id
- Ob Score
- Mol Logp
- 6.7854
- Num H Donors
- 2
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.3010
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Fucaxanthone A
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Fucaxanthone A
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Fucaxanthone a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Fucaxanthone a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
云南山竹子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YUN NAN SHAN ZHU ZI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Yunnan Garcinia
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
2H,6H-pyrano[3,2-b]xanthen-6-one, 7-[(2E)-3,7-dimethyl-2,6-octadienyl]-5,9-dihydroxy-8-methoxy-2,2-dimethyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
2H,6H-pyrano[3,2-b]xanthen-6-one, 7-[(2E)-3,7-dimethyl-2,6-octadienyl]-5,9-dihydroxy-8-methoxy-2,2-dimethyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
7-(3,7-Dimethyl-octa-2,6-dienyl)-5,9-dihydroxy-8-methoxy-2,2-dimethyl-2H-pyrano[3,2-b]xanthen-6-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-(3,7-Dimethyl-octa-2,6-dienyl)-5,9-dihydroxy-8-methoxy-2,2-dimethyl-2H-pyrano[3,2-b]xanthen-6-one
Role
alias
Source
HERB_v2
Preferred
No
Name
7-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5,9-dihydroxy-8-methoxy-2,2-dimethyl-2H,6H-pyrano[3,2-b]xanthen-6-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5,9-dihydroxy-8-methoxy-2,2-dimethyl-2H,6H-pyrano[3,2-b]xanthen-6-one
Role
alias
Source
HERB_v2
Preferred
No
Name
7-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,9-dihydroxy-8-methoxy-2,2-dimethylpyrano[3,2-b]xanthen-6-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,9-dihydroxy-8-methoxy-2,2-dimethylpyrano[3,2-b]xanthen-6-one
Role
alias
Source
HERB_v2
Preferred
No
Name
Fuscaxanthone A
Role
alias
Source
itcmdb_public
Preferred
No
Name
Fuscaxanthone A
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
云南山竹子YUN NAN SHAN ZHU ZIYunnan Garcinia2H,6H-pyrano[3,2-b]xanthen-6-one, 7-[(2E)-3,7-dimethyl-2,6-octadienyl]-5,9-dihydroxy-8-methoxy-2,2-dimethyl-7-(3,7-Dimethyl-octa-2,6-dienyl)-5,9-dihydroxy-8-methoxy-2,2-dimethyl-2H-pyrano[3,2-b]xanthen-6-one7-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5,9-dihydroxy-8-methoxy-2,2-dimethyl-2H,6H-pyrano[3,2-b]xanthen-6-one7-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,9-dihydroxy-8-methoxy-2,2-dimethylpyrano[3,2-b]xanthen-6-oneFuscaxanthone A
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN026802
Npass
NPC39091
Tcmid
7973
Pub Chem
5324264
Tcmbank
TCMBANKIN049120
Etcm Ingredient
Fucaxanthone A
Itcmdb Generated
ITX-INGREDIENT-F2FF8A747598
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C29H32O6/c1-16(2)8-7-9-17(3)10-11-19-24-22(14-20(30)28(19)33-6)34-23-15-21-18(12-13-29(4,5)35-21)26(31)25(23)27(24)32/h8,10,12-15,30-31H,7,9,11H2,1-6H3/b17-10+
Mol Wt
476.5690000000002
Mol Log P
6.785400000000006
In Ch Ikey
XDMFZDJOFFBFDK-LICLKQGHSA-N
Tcm Name
云南山竹子
Tcm Name2
YUN NAN SHAN ZHU ZI
Mol2 Path
/TCM_database/2007_3d_all/07974.mol2
Reference
5281
Num Hdonors
2
Tcm Name En
Yunnan Garcinia
Drug Likeness
0.301
Num Hacceptors
6
Isomeric Smiles
CC(=CCC/C(=C/CC1=C(C(=CC2=C1C(=O)C3=C(C4=C(C=C3O2)OC(C=C4)(C)C)O)O)OC)/C)C
Canonical Smiles
CC(=CCCC(=CCC1=C(C(=CC2=C1C(=O)C3=C(C4=C(C=C3O2)OC(C=C4)(C)C)O)O)OC)C)C
Herb Alias Names
Fuscaxanthone A2H,6H-pyrano[3,2-b]xanthen-6-one, 7-[(2E)-3,7-dimethyl-2,6-octadienyl]-5,9-dihydroxy-8-methoxy-2,2-dimethyl-7-(3,7-Dimethyl-octa-2,6-dienyl)-5,9-dihydroxy-8-methoxy-2,2-dimethyl-2H-pyrano[3,2-b]xanthen-6-one7-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5,9-dihydroxy-8-methoxy-2,2-dimethyl-2H,6H-pyrano[3,2-b]xanthen-6-one7-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,9-dihydroxy-8-methoxy-2,2-dimethylpyrano[3,2-b]xanthen-6-one2H,6H-pyrano(3,2-b)xanthen-6-one, 7-((2E)-3,7-dimethyl-2,6-octadienyl)-5,9-dihydroxy-8-methoxy-2,2-dimethyl-7-((2E)-3,7-dimethylocta-2,6-dien-1-yl)-5,9-dihydroxy-8-methoxy-2,2-dimethyl-2H,6H-pyrano(3,2-b)xanthen-6-one7-((2E)-3,7-dimethylocta-2,6-dienyl)-5,9-dihydroxy-8-methoxy-2,2-dimethylpyrano(3,2-b)xanthen-6-one7-(3,7-Dimethyl-octa-2,6-dienyl)-5,9-dihydroxy-8-methoxy-2,2-dimethyl-2H-pyrano(3,2-b)xanthen-6-one
Molecular Weight
476.220
Molecular Weight
476.6 g/mol
Molecular Formula
C29H32O6
Molecular Formula
C29H32O6
Num Rotatable Bonds
6
Fda Maximum Daily Dose (Fdamdd)
0.835
Quantitative Estimate Of Drug Likeness（Qed）
0.296