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
- 4451
- Core Entity Id
- 8136
- Source Entity Count
- 1
- Preferred Name
- 3-hydroxy-1,5,6-trimethoxy-2-methyl-9,10-anthraquinone
- Name En
- Pubchem Id
- 11515404
- Smiles Canonical
- CC1=C(C=C2C(=C1OC)C(=O)C3=C(C2=O)C(=C(C=C3)OC)OC)O
- Molecular Formula
- C18H16O6
- Molecular Weight
- 328.3200
- Inchikey
- BJOFRGLKZTZIPP-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H16O6/c1-8-11(19)7-10-14(17(8)23-3)15(20)9-5-6-12(22-2)18(24-4)13(9)16(10)21/h5-7,19H,1-4H3
- Isomeric Smiles
- CC1=C(C=C2C(=C1OC)C(=O)C3=C(C2=O)C(=C(C=C3)OC)OC)O
- Cas Id
- Ob Score
- Mol Logp
- 2.5018
- Num H Donors
- 1
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7950
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-Hydroxy-1,5,6-trimethoxy-2-methyl-9,10-anthraquinone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-hydroxy-1,5,6-trimethoxy-2-methyl-9,10-anthraquinone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3-hydroxy-1,5,6-trimethoxy-2-methyl-9,10-anthraquinone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
南山花
Role
TCM_name
Source
TCMBank
Preferred
No
Name
NAN SHAN HUA
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Furstamen Prismatomeris
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
1,5,6-Trimethoxy-2-methyl-3-hydroxy-9,10-anthraquinone
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,5,6-Trimethoxy-2-methyl-3-hydroxy-9,10-anthraquinone
Role
alias
Source
HERB_v2
Preferred
No
Name
3-hydroxy-1,5,6-trimethoxy-2-methylanthracene-9,10-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-hydroxy-1,5,6-trimethoxy-2-methylanthracene-9,10-dione
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
南山花NAN SHAN HUAFurstamen Prismatomeris1,5,6-Trimethoxy-2-methyl-3-hydroxy-9,10-anthraquinone3-hydroxy-1,5,6-trimethoxy-2-methylanthracene-9,10-dione
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN008624
Tcmid
10799
Pub Chem
11515404
Tcmbank
TCMBANKIN038670
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H16O6/c1-8-11(19)7-10-14(17(8)23-3)15(20)9-5-6-12(22-2)18(24-4)13(9)16(10)21/h5-7,19H,1-4H3
Mol Wt
328.3200000000001
Mol Log P
2.501820000000001
In Ch Ikey
BJOFRGLKZTZIPP-UHFFFAOYSA-N
Tcm Name
南山花
Tcm Name2
NAN SHAN HUA
Mol2 Path
/TCM_database/2007_3d_all/10800.mol2
Reference
4521
Num Hdonors
1
Tcm Name En
Furstamen Prismatomeris
Drug Likeness
0.795
Num Hacceptors
6
Isomeric Smiles
CC1=C(C=C2C(=C1OC)C(=O)C3=C(C2=O)C(=C(C=C3)OC)OC)O
Canonical Smiles
CC1=C(C=C2C(=C1OC)C(=O)C3=C(C2=O)C(=C(C=C3)OC)OC)O
Herb Alias Names
1,5,6-Trimethoxy-2-methyl-3-hydroxy-9,10-anthraquinone3-hydroxy-1,5,6-trimethoxy-2-methylanthracene-9,10-dione
Molecular Weight
328.3 g/mol
Molecular Formula
C18H16O6
Num Rotatable Bonds
3