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: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 19558
- Core Entity Id
- 24921
- Source Entity Count
- 1
- Preferred Name
- Fuscaxanthone c
- Name En
- Pubchem Id
- 231412
- Smiles Canonical
- CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(C(=C(C=C3O2)OC)OC)CC=C(C)C)OC)C
- Molecular Formula
- C26H30O6
- Molecular Weight
- 438.5200
- Inchikey
- FCIKYGUVHWZSJV-UHFFFAOYSA-N
- Inchi
- InChI=1S/C26H30O6/c1-14(2)8-10-16-18(29-5)12-20-23(24(16)27)25(28)22-17(11-9-15(3)4)26(31-7)21(30-6)13-19(22)32-20/h8-9,12-13,27H,10-11H2,1-7H3
- Isomeric Smiles
- CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(C(=C(C=C3O2)OC)OC)CC=C(C)C)OC)C
- Cas Id
- Ob Score
- Mol Logp
- 5.6950
- Num H Donors
- 1
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.3770
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Fuscaxanthone C
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Fuscaxanthone c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Fuscaxanthone c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
乔木状黄牛木
Role
TCM_name
Source
TCMBank
Preferred
No
Name
QIAO MU ZHUANG HUANG NIU MU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Genonggang
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
1-HYDROXY-3,6,7-TRIMETHOXY-2,8-DIPRENYLXANTHONE
Role
alias
Source
HERB_v2
Preferred
No
Name
1-HYDROXY-3,6,7-TRIMETHOXY-2,8-DIPRENYLXANTHONE
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Hydroxy-3,6,7-trimethoxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Hydroxy-3,6,7-trimethoxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1-hydroxy-3,6,7-trimethoxy-2,8-bis(3-methylbut-2-enyl)xanthen-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-hydroxy-3,6,7-trimethoxy-2,8-bis(3-methylbut-2-enyl)xanthen-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
15404-76-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
15404-76-9
Role
alias
Source
HERB_v2
Preferred
No
Name
3,6-Dimethylmangostin
Role
alias
Source
HERB_v2
Preferred
No
Name
3,6-Dimethylmangostin
Role
alias
Source
itcmdb_public
Preferred
No
Name
MANGOSTIN,DIMETHYL-
Role
alias
Source
itcmdb_public
Preferred
No
Name
MANGOSTIN,DIMETHYL-
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC27594
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC27594
Role
alias
Source
itcmdb_public
Preferred
No
Name
di-O-methylmangostin
Role
alias
Source
HERB_v2
Preferred
No
Name
di-O-methylmangostin
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
乔木状黄牛木QIAO MU ZHUANG HUANG NIU MUGenonggang1-HYDROXY-3,6,7-TRIMETHOXY-2,8-DIPRENYLXANTHONE1-Hydroxy-3,6,7-trimethoxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one1-hydroxy-3,6,7-trimethoxy-2,8-bis(3-methylbut-2-enyl)xanthen-9-one15404-76-93,6-DimethylmangostinMANGOSTIN,DIMETHYL-NSC27594di-O-methylmangostin
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN026935
Npass
NPC165977
Tcmid
8031
Pub Chem
231412
Tcmbank
TCMBANKIN039467
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C26H30O6/c1-14(2)8-10-16-18(29-5)12-20-23(24(16)27)25(28)22-17(11-9-15(3)4)26(31-7)21(30-6)13-19(22)32-20/h8-9,12-13,27H,10-11H2,1-7H3
Mol Wt
438.5200000000003
Mol Log P
5.695000000000006
In Ch Ikey
FCIKYGUVHWZSJV-UHFFFAOYSA-N
Tcm Name
乔木状黄牛木
Tcm Name2
QIAO MU ZHUANG HUANG NIU MU
Mol2 Path
/TCM_database/2007_3d_all/08032.mol2
Reference
5061
Num Hdonors
1
Tcm Name En
Genonggang
Drug Likeness
0.377
Num Hacceptors
6
Isomeric Smiles
CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(C(=C(C=C3O2)OC)OC)CC=C(C)C)OC)C
Canonical Smiles
CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(C(=C(C=C3O2)OC)OC)CC=C(C)C)OC)C
Herb Alias Names
15404-76-93,6-DimethylmangostinNSC275941-HYDROXY-3,6,7-TRIMETHOXY-2,8-DIPRENYLXANTHONE1-hydroxy-3,6,7-trimethoxy-2,8-bis(3-methylbut-2-enyl)xanthen-9-one1-Hydroxy-3,6,7-trimethoxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-oneMANGOSTIN,DIMETHYL-di-O-methylmangostinMangostin, dimethyl-
Molecular Weight
438.5 g/mol
Molecular Formula
C26H30O6
Num Rotatable Bonds
7