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
- 20365
- Core Entity Id
- 25816
- Source Entity Count
- 1
- Preferred Name
- Globulixanthone c
- Name En
- Pubchem Id
- 5317656
- Smiles Canonical
- CC1(C=CC2=C(O1)C=C(C3=C2OC4=C(C3=O)C(=C(C=C4)O)O)O)C
- Molecular Formula
- C18H14O6
- Molecular Weight
- 326.3040
- Inchikey
- QFCIGJXDFQIUTI-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H14O6/c1-18(2)6-5-8-12(24-18)7-10(20)13-16(22)14-11(23-17(8)13)4-3-9(19)15(14)21/h3-7,19-21H,1-2H3
- Isomeric Smiles
- CC1(C=CC2=C(O1)C=C(C3=C2OC4=C(C3=O)C(=C(C=C4)O)O)O)C
- Cas Id
- Ob Score
- Mol Logp
- 3.2472
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4330
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Globulixanthone c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Globulixanthone c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
globulixanthone c
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,7,8-Trihydroxy-2,2-dimethylpyrano[5',6':3,4]xanthone
Role
alias
Source
HERB_v2
Preferred
No
Name
1,7,8-Trihydroxy-2,2-dimethylpyrano[5',6':3,4]xanthone
Role
alias
Source
itcmdb_public
Preferred
No
Name
3H,7H-pyrano[2,3-c]xanthen-7-one, 6,8,9-trihydroxy-3,3-dimethyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
3H,7H-pyrano[2,3-c]xanthen-7-one, 6,8,9-trihydroxy-3,3-dimethyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
6,8,9-Trihydroxy-3,3-dimethyl-3H-4,12-dioxa-benzo[a]anthracen-7-one
Role
alias
Source
HERB_v2
Preferred
No
Name
6,8,9-Trihydroxy-3,3-dimethyl-3H-4,12-dioxa-benzo[a]anthracen-7-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
6,8,9-trihydroxy-3,3-dimethyl-3H,7H-pyrano(2,3-c)xanthen-7-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
6,8,9-trihydroxy-3,3-dimethyl-3H,7H-pyrano[2,3-c]xanthen-7-one
Role
alias
Source
HERB_v2
Preferred
No
Name
6,8,9-trihydroxy-3,3-dimethylpyrano(2,3-c)xanthen-7-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
6,8,9-trihydroxy-3,3-dimethylpyrano[2,3-c]xanthen-7-one
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,7,8-Trihydroxy-2,2-dimethylpyrano[5',6':3,4]xanthone3H,7H-pyrano[2,3-c]xanthen-7-one, 6,8,9-trihydroxy-3,3-dimethyl-6,8,9-Trihydroxy-3,3-dimethyl-3H-4,12-dioxa-benzo[a]anthracen-7-one6,8,9-trihydroxy-3,3-dimethyl-3H,7H-pyrano(2,3-c)xanthen-7-one6,8,9-trihydroxy-3,3-dimethyl-3H,7H-pyrano[2,3-c]xanthen-7-one6,8,9-trihydroxy-3,3-dimethylpyrano(2,3-c)xanthen-7-one6,8,9-trihydroxy-3,3-dimethylpyrano[2,3-c]xanthen-7-one
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN027967
Npass
NPC252992
Tcmid
8554
Pub Chem
5317656
Tcmbank
TCMBANKIN048860
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H14O6/c1-18(2)6-5-8-12(24-18)7-10(20)13-16(22)14-11(23-17(8)13)4-3-9(19)15(14)21/h3-7,19-21H,1-2H3
Mol Wt
326.304
Smiles
CC1(C=CC2=C(O1)C=C(C3=C2OC4=C(C3=O)C(=C(C=C4)O)O)O)C
Mol Log P
3.247200000000002
In Ch Ikey
QFCIGJXDFQIUTI-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/08555.mol2
Reference
2029
Num Hdonors
3
Drug Likeness
0.433
Num Hacceptors
6
Isomeric Smiles
CC1(C=CC2=C(O1)C=C(C3=C2OC4=C(C3=O)C(=C(C=C4)O)O)O)C
Canonical Smiles
CC1(C=CC2=C(O1)C=C(C3=C2OC4=C(C3=O)C(=C(C=C4)O)O)O)C
Herb Alias Names
6,8,9-trihydroxy-3,3-dimethylpyrano[2,3-c]xanthen-7-one1,7,8-Trihydroxy-2,2-dimethylpyrano[5',6':3,4]xanthone3H,7H-pyrano[2,3-c]xanthen-7-one, 6,8,9-trihydroxy-3,3-dimethyl-6,8,9-trihydroxy-3,3-dimethyl-3H,7H-pyrano[2,3-c]xanthen-7-one6,8,9-Trihydroxy-3,3-dimethyl-3H-4,12-dioxa-benzo[a]anthracen-7-one1,7,8-Trihydroxy-2,2-dimethylpyrano(5',6':3,4)xanthone6,8,9-trihydroxy-3,3-dimethylpyrano(2,3-c)xanthen-7-one6,8,9-trihydroxy-3,3-dimethyl-3H,7H-pyrano(2,3-c)xanthen-7-one3H,7H-pyrano(2,3-c)xanthen-7-one, 6,8,9-trihydroxy-3,3-dimethyl-
Molecular Weight
326.3 g/mol
Molecular Formula
C18H14O6
Molecular Formula
C18H14O6
Num Rotatable Bonds
0