Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 9Links: 10
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 24081
- Core Entity Id
- 29951
- Source Entity Count
- 1
- Preferred Name
- Laccaic acid d
- Name En
- Pubchem Id
- 9883304
- Smiles Canonical
- CC1=C2C(=CC(=C1C(=O)O)O)C(=O)C3=C(C2=O)C(=CC(=C3)O)O
- Molecular Formula
- C16H10O7
- Molecular Weight
- 314.2490
- Inchikey
- DDTNCHWMNZLWKO-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H10O7/c1-5-11-8(4-10(19)12(5)16(22)23)14(20)7-2-6(17)3-9(18)13(7)15(11)21/h2-4,17-19H,1H3,(H,22,23)
- Isomeric Smiles
- CC1=C2C(=CC(=C1C(=O)O)O)C(=O)C3=C(C2=O)C(=CC(=C3)O)O
- Cas Id
- 18499-84-8
- Ob Score
- 2.0596
- Mol Logp
- 1.5854
- Num H Donors
- 4
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5360
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Laccaic Acid D
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Laccaic Acid D
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Laccaic acid d
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Laccaic acid d
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
laccaic acid D
Role
preferred
Source
TCMBank
Preferred
Yes
Name
laccaic acid D
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
18499-84-8
Role
alias
Source
HERB_v2
Preferred
No
Name
18499-84-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,6,8-trihydroxy-1-methyl-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,6,8-trihydroxy-1-methyl-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
3,6,8-trihydroxy-1-methyl-9,10-dioxoanthracene-2-carboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
3,6,8-trihydroxy-1-methyl-9,10-dioxoanthracene-2-carboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
9,10-Dihydro-3,6,8-trihydroxy-1-methyl-9,10-dioxo-2-anthracenecarboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
9,10-Dihydro-3,6,8-trihydroxy-1-methyl-9,10-dioxo-2-anthracenecarboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
9,10-Dihydro-3,6,8-trihydroxy-1-methyl-9,10-dioxo-2-anthracenecarboxylic acid, 9CI
Role
alias
Source
HERB_v2
Preferred
No
Name
9,10-Dihydro-3,6,8-trihydroxy-1-methyl-9,10-dioxo-2-anthracenecarboxylic acid, 9CI
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:90194
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:90194
Role
alias
Source
HERB_v2
Preferred
No
Name
Flavokermesic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Flavokermesic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Xanthokermesate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Xanthokermesate
Role
alias
Source
HERB_v2
Preferred
No
Name
Xanthokermesic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Xanthokermesic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
laccaicacid d
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
18499-84-83,6,8-trihydroxy-1-methyl-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid3,6,8-trihydroxy-1-methyl-9,10-dioxoanthracene-2-carboxylic acid9,10-Dihydro-3,6,8-trihydroxy-1-methyl-9,10-dioxo-2-anthracenecarboxylic acid9,10-Dihydro-3,6,8-trihydroxy-1-methyl-9,10-dioxo-2-anthracenecarboxylic acid, 9CICHEBI:90194Flavokermesic acidXanthokermesateXanthokermesic acidlaccaicacid d
Cross References
Trusted external identifiers retained for this final record.
Cas
18499-84-8
Herb
HBIN032506
Npass
NPC198260
Tcmid
12422
Tcmsp
MOL002286
Sym Map
SMIT04559
Pub Chem
9883304
Tcmbank
TCMBANKIN041308
Etcm Ingredient
laccaic acid D
Itcmdb Generated
ITX-INGREDIENT-DA1F0E5D3F0C
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H10O7/c1-5-11-8(4-10(19)12(5)16(22)23)14(20)7-2-6(17)3-9(18)13(7)15(11)21/h2-4,17-19H,1H3,(H,22,23)
Mol Wt
314.249
Cas Id
18499-84-8
Smiles
CC1=C2C(=CC(=C1C(=O)O)O)C(=O)C3=C(C2=O)C(=CC(=C3)O)O
Mol Log P
1.58542
Version
v1,v2
In Ch Ikey
DDTNCHWMNZLWKO-UHFFFAOYSA-N
Ob Score
2.0596195242.059622.06
Suppress
0
Mol2 Path
/TCM_database/2007_3d_all/12427.mol2
Reference
660
Num Hdonors
4
Drug Likeness
0.536
Num Hacceptors
6
Isomeric Smiles
CC1=C2C(=CC(=C1C(=O)O)O)C(=O)C3=C(C2=O)C(=CC(=C3)O)O
Molecule Weight
300.23
Canonical Smiles
CC1=C2C(=CC(=C1C(=O)O)O)C(=O)C3=C(C2=O)C(=CC(=C3)O)O
Herb Alias Names
Flavokermesic acidXanthokermesic acid18499-84-8CHEBI:901943,6,8-trihydroxy-1-methyl-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid3,6,8-trihydroxy-1-methyl-9,10-dioxoanthracene-2-carboxylic acid9,10-Dihydro-3,6,8-trihydroxy-1-methyl-9,10-dioxo-2-anthracenecarboxylic acid9,10-Dihydro-3,6,8-trihydroxy-1-methyl-9,10-dioxo-2-anthracenecarboxylic acid, 9CIXanthokermesate
Molecular Weight
300.030
Molecular Weight
314.25
Molecular Formula
C15H8O7
Molecular Formula
C16H10O7
Molecular Formula
C16H10O7
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.046
Quantitative Estimate Of Drug Likeness（Qed）
0.532