ITCMDBv1
IngredientID 19082

Fallacinol

C16H12O6

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Relationship Network

Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

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Herb: 8Ingredient: 1Target: 12Links: 20
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
19082
Core Entity Id
24389
Source Entity Count
1
Preferred Name
Fallacinol
Name En
Pubchem Id
3083633
Smiles Canonical
COC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)CO
Molecular Formula
C16H12O6
Molecular Weight
300.2660
Inchikey
WJXSYUJKJSOJOG-UHFFFAOYSA-N
Inchi
InChI=1S/C16H12O6/c1-22-8-4-10-14(12(19)5-8)16(21)13-9(15(10)20)2-7(6-17)3-11(13)18/h2-5,17-19H,6H2,1H3
Isomeric Smiles
COC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)CO
Cas Id
569-05-1
Ob Score
20.5537
Mol Logp
1.3741
Num H Donors
3
Num H Acceptors
6
Num Rotatable Bonds
2
Drug Likeness
0.6600
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
Fallacinol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Fallacinol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Fallacinol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Fallacinol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Fallacinol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
1,8-Dihydroxy-3-(hydroxymethyl)-6-methoxy-9,10-anthracenedione
Role
alias
Source
TCMBank
Preferred
No
Name
1,8-Dihydroxy-3-(hydroxymethyl)-6-methoxy-9,10-anthracenedione
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,8-Dihydroxy-3-(hydroxymethyl)-6-methoxy-9,10-anthracenedione
Role
alias
Source
HERB_v2
Preferred
No
Name
1,8-dihydroxy-3-(hydroxymethyl)-6-methoxyanthracene-9,10-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,8-dihydroxy-3-(hydroxymethyl)-6-methoxyanthracene-9,10-dione
Role
alias
Source
TCMBank
Preferred
No
Name
1,8-dihydroxy-3-(hydroxymethyl)-6-methoxyanthracene-9,10-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
1,8-dihydroxy-3-methoxy-6-methylol-9,10-anthraquinone
Role
alias
Source
TCMBank
Preferred
No
Name
569-05-1
Role
alias
Source
TCMBank
Preferred
No
Name
569-05-1
Role
alias
Source
HERB_v2
Preferred
No
Name
569-05-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
9,10-Anthracenedione, 1,8-dihydroxy-3-(hydroxymethyl)-6-methoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
9,10-Anthracenedione, 1,8-dihydroxy-3-(hydroxymethyl)-6-methoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
9,10-Anthracenedione, 1,8-dihydroxy-3-(hydroxymethyl)-6-methoxy-
Role
alias
Source
TCMBank
Preferred
No
Name
AC1MJ0ZD
Role
alias
Source
TCMBank
Preferred
No
Name
Anthraquinone, 1,8-dihydroxy-3-(hydroxymethyl)-6-methoxy-
Role
alias
Source
TCMBank
Preferred
No
Name
Anthraquinone, 1,8-dihydroxy-3-(hydroxymethyl)-6-methoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Anthraquinone, 1,8-dihydroxy-3-(hydroxymethyl)-6-methoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
Chrysazin, 3-(hydroxymethyl)-6-methoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Chrysazin, 3-(hydroxymethyl)-6-methoxy-
Role
alias
Source
TCMBank
Preferred
No
Name
Chrysazin, 3-(hydroxymethyl)-6-methoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID80205430
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID80205430
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID80205430
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00384926-01!1,8-dihydroxy-3-(hydroxymethyl)-6-methoxyanthracene-9,10-dione
Role
alias
Source
TCMBank
Preferred
No
Name
NP-012894
Role
alias
Source
TCMBank
Preferred
No
Name
Phallacinol
Role
alias
Source
HERB_v2
Preferred
No
Name
Phallacinol
Role
alias
Source
TCMBank
Preferred
No
Name
Phallacinol
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL16225969
Role
alias
Source
TCMBank
Preferred
No
Name
Teloschistin
Role
alias
Source
HERB_v2
Preferred
No
Name
Teloschistin
Role
alias
Source
TCMBank
Preferred
No
Name
Teloschistin
Role
alias
Source
itcmdb_public
Preferred
No
Name
fallacinol
Role
alias
Source
TCMBank
Preferred
No

Aliases

Additional names normalized into the restored final schema.

1,8-Dihydroxy-3-(hydroxymethyl)-6-methoxy-9,10-anthracenedione1,8-dihydroxy-3-(hydroxymethyl)-6-methoxyanthracene-9,10-dione1,8-dihydroxy-3-methoxy-6-methylol-9,10-anthraquinone569-05-19,10-Anthracenedione, 1,8-dihydroxy-3-(hydroxymethyl)-6-methoxy-AC1MJ0ZDAnthraquinone, 1,8-dihydroxy-3-(hydroxymethyl)-6-methoxy-Chrysazin, 3-(hydroxymethyl)-6-methoxy-DTXSID80205430NCGC00384926-01!1,8-dihydroxy-3-(hydroxymethyl)-6-methoxyanthracene-9,10-dioneNP-012894PhallacinolSCHEMBL16225969Teloschistin

Cross References

Trusted external identifiers retained for this final record.

Cas
569-05-1
Herb
HBIN026348
Npass
NPC48367
Tcmid
7709
Tcmsp
MOL013286
Sym Map
SMIT13959SMIT15378
Pub Chem
3083633
Tcmbank
TCMBANKIN013931
Etcm Ingredient
Fallacinol
Itcmdb Generated
ITX-INGREDIENT-963D7EB1C1F0

Attributes

Merged source attributes and domain-specific metadata.

In Ch I
InChI=1S/C16H12O6/c1-22-8-4-10-14(12(19)5-8)16(21)13-9(15(10)20)2-7(6-17)3-11(13)18/h2-5,17-19H,6H2,1H3
Mol Wt
300.266
Cas Id
569-05-1
Smiles
COC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)CO
Mol Log P
1.3741
Version
v1,v2
In Ch Ikey
WJXSYUJKJSOJOG-UHFFFAOYSA-N
Ob Score
20.55369920.5536993720.554
Suppress
1
Num Hdonors
3
Drug Likeness
0.66
Num Hacceptors
6
Isomeric Smiles
COC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)CO
Molecule Weight
300.28
Canonical Smiles
COC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)CO
Herb Alias Names
Teloschistin569-05-1Phallacinol1,8-dihydroxy-3-(hydroxymethyl)-6-methoxyanthracene-9,10-dioneChrysazin, 3-(hydroxymethyl)-6-methoxy-1,8-Dihydroxy-3-(hydroxymethyl)-6-methoxy-9,10-anthracenedioneDTXSID80205430Anthraquinone, 1,8-dihydroxy-3-(hydroxymethyl)-6-methoxy-9,10-Anthracenedione, 1,8-dihydroxy-3-(hydroxymethyl)-6-methoxy-
Molecular Weight
300.060
Molecular Weight
300.26
Molecule Formula
C16H12O6
Molecular Formula
C16H12O6
Molecular Formula
C16H12O6
Molecular Formula
C16H12O6
Num Rotatable Bonds
2
Link Ingredient Id
13959.0
Fda Maximum Daily Dose (Fdamdd)
0.911
Quantitative Estimate Of Drug Likeness（Qed）
0.329