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
- 22320
- Core Entity Id
- 27993
- Source Entity Count
- 1
- Preferred Name
- Islandicin
- Name En
- Pubchem Id
- 10151
- Smiles Canonical
- CC1=CC(=C2C(=C1O)C(=O)C3=C(C2=O)C(=CC=C3)O)O
- Molecular Formula
- C15H10O5
- Molecular Weight
- 270.2400
- Inchikey
- FHFHNVHRVKQQHN-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H10O5/c1-6-5-9(17)11-12(13(6)18)14(19)7-3-2-4-8(16)10(7)15(11)20/h2-5,16-18H,1H3
- Isomeric Smiles
- CC1=CC(=C2C(=C1O)C(=O)C3=C(C2=O)C(=CC=C3)O)O
- Cas Id
- Ob Score
- Mol Logp
- 1.8872
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5420
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Islandicin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Islandicin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Islandicin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
islandicin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,4,5-Trihydroxy-2-methylanthracene-9,10-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
1,4,5-Trihydroxy-2-methylanthracene-9,10-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,4,5-Trihydroxy-2-methylanthraquinone
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,4,5-Trihydroxy-2-methylanthraquinone
Role
alias
Source
HERB_v2
Preferred
No
Name
476-56-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
476-56-2
Role
alias
Source
HERB_v2
Preferred
No
Name
CCRIS 3476
Role
alias
Source
HERB_v2
Preferred
No
Name
CCRIS 3476
Role
alias
Source
itcmdb_public
Preferred
No
Name
FUNICULOSIN
Role
alias
Source
HERB_v2
Preferred
No
Name
FUNICULOSIN
Role
alias
Source
itcmdb_public
Preferred
No
Name
Funiculosin (anthraquinone)
Role
alias
Source
HERB_v2
Preferred
No
Name
Funiculosin (anthraquinone)
Role
alias
Source
itcmdb_public
Preferred
No
Name
ISLANDIN
Role
alias
Source
itcmdb_public
Preferred
No
Name
ISLANDIN
Role
alias
Source
HERB_v2
Preferred
No
Name
Rhodomycelin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Rhodomycelin
Role
alias
Source
HERB_v2
Preferred
No
Name
Rhodomycin
Role
alias
Source
HERB_v2
Preferred
No
Name
Rhodomycin
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,4,5-Trihydroxy-2-methylanthracene-9,10-dione1,4,5-Trihydroxy-2-methylanthraquinone476-56-2CCRIS 3476FUNICULOSINFuniculosin (anthraquinone)ISLANDINRhodomycelinRhodomycin
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN030366
Npass
NPC205992
Tcmid
11188
Pub Chem
10151
Tcmbank
TCMBANKIN047933
Etcm Ingredient
Islandicin
Itcmdb Generated
ITX-INGREDIENT-9DB995D63272
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H10O5/c1-6-5-9(17)11-12(13(6)18)14(19)7-3-2-4-8(16)10(7)15(11)20/h2-5,16-18H,1H3
Mol Wt
270.24
Smiles
CC1=CC(=C2C(=C1O)C(=O)C3=C(C2=O)C(=CC=C3)O)O
Mol Log P
1.887220000000001
In Ch Ikey
FHFHNVHRVKQQHN-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/11191.mol2
Reference
3057
Num Hdonors
3
Drug Likeness
0.542
Num Hacceptors
5
Isomeric Smiles
CC1=CC(=C2C(=C1O)C(=O)C3=C(C2=O)C(=CC=C3)O)O
Canonical Smiles
CC1=CC(=C2C(=C1O)C(=O)C3=C(C2=O)C(=CC=C3)O)O
Herb Alias Names
476-56-2RhodomycelinRhodomycinFUNICULOSIN1,4,5-Trihydroxy-2-methylanthracene-9,10-dioneISLANDINFuniculosin (anthraquinone)1,4,5-Trihydroxy-2-methylanthraquinoneCCRIS 3476
Molecular Weight
270.050
Molecular Weight
270.24 g/mol
Molecular Formula
C15H10O5
Molecular Formula
C15H10O5
Molecular Formula
C15H10O5
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.897
Quantitative Estimate Of Drug Likeness（Qed）
0.638