ITCMDBv1
IngredientID 36922

Xyloidone

C15H12O3

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Herb: 1Ingredient: 1Target: 12Links: 13
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
36922
Core Entity Id
44237
Source Entity Count
1
Preferred Name
Xyloidone
Name En
Pubchem Id
72734
Smiles Canonical
CC1(C=CC2=C(O1)C(=O)C3=CC=CC=C3C2=O)C
Molecular Formula
C15H12O3
Molecular Weight
240.2580
Inchikey
OWFHAMHRUCUSRM-UHFFFAOYSA-N
Inchi
InChI=1S/C15H12O3/c1-15(2)8-7-11-12(16)9-5-3-4-6-10(9)13(17)14(11)18-15/h3-8H,1-2H3
Isomeric Smiles
CC1(C=CC2=C(O1)C(=O)C3=CC=CC=C3C2=O)C
Cas Id
15297-92-4
Ob Score
31.6126
Mol Logp
2.6847
Num H Donors
0
Num H Acceptors
3
Num Rotatable Bonds
0
Drug Likeness
0.7000
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name
Xyloidone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Xyloidone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Xyloidone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Xyloidone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Xyloidone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
.alpha.-Lapachone, dehydro-
Role
alias
Source
HERB_v2
Preferred
No
Name
.alpha.-Lapachone, dehydro-
Role
alias
Source
itcmdb_public
Preferred
No
Name
15297-92-4
Role
alias
Source
HERB_v2
Preferred
No
Name
15297-92-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
15297-92-4
Role
alias
Source
TCMBank
Preferred
No
Name
2,2-Dimethyl-2H-benzo[g]chromene-5,10-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
2,2-Dimethyl-2H-benzo[g]chromene-5,10-dione
Role
alias
Source
TCMBank
Preferred
No
Name
2,2-Dimethyl-2H-benzo[g]chromene-5,10-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,2-dimethylbenzo[g]chromene-5,10-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
2,2-dimethylbenzo[g]chromene-5,10-dione
Role
alias
Source
TCMBank
Preferred
No
Name
2,2-dimethylbenzo[g]chromene-5,10-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,2-dimethylbenzo[g]chromene-5,10-quinone
Role
alias
Source
TCMBank
Preferred
No
Name
2H-Naphtho(2,3-b)pyran-5,10-dione, 2,2-dimethyl- (8CI)(9CI)
Role
alias
Source
TCMBank
Preferred
No
Name
2H-Naphtho[2,3-b]pyran-5,10-dione, 2,2-dimethyl-
Role
alias
Source
TCMBank
Preferred
No
Name
AIDS014802
Role
alias
Source
TCMBank
Preferred
No
Name
DEHYDROPLAPACHONE
Role
alias
Source
TCMBank
Preferred
No
Name
Dehydro-.alpha.-lapachol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dehydro-.alpha.-lapachol
Role
alias
Source
HERB_v2
Preferred
No
Name
Dehydro-.alpha.-lapachone
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dehydro-.alpha.-lapachone
Role
alias
Source
TCMBank
Preferred
No
Name
Dehydro-.alpha.-lapacone
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dehydro-.alpha.-lapacone
Role
alias
Source
HERB_v2
Preferred
No
Name
Dehydro-.alpha.-lapacone
Role
alias
Source
TCMBank
Preferred
No
Name
Dehydro-alpha-lapachol
Role
alias
Source
TCMBank
Preferred
No
Name
Dehydro-alpha-lapachone
Role
alias
Source
HERB_v2
Preferred
No
Name
Dehydrolapachone
Role
alias
Source
HERB_v2
Preferred
No
Name
Dehydrolapachone
Role
alias
Source
TCMBank
Preferred
No
Name
Dehydrolapachone
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC 106453
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 629748
Role
alias
Source
TCMBank
Preferred
No
Name
Xyloidone (VAN)
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC00338411
Role
alias
Source
TCMBank
Preferred
No
Name
alpha-Lapachone, dehydro-
Role
alias
Source
TCMBank
Preferred
No

Aliases

Additional names normalized into the restored final schema.

.alpha.-Lapachone, dehydro-15297-92-42,2-Dimethyl-2H-benzo[g]chromene-5,10-dione2,2-dimethylbenzo[g]chromene-5,10-dione2,2-dimethylbenzo[g]chromene-5,10-quinone2H-Naphtho(2,3-b)pyran-5,10-dione, 2,2-dimethyl- (8CI)(9CI)2H-Naphtho[2,3-b]pyran-5,10-dione, 2,2-dimethyl-AIDS014802DEHYDROPLAPACHONEDehydro-.alpha.-lapacholDehydro-.alpha.-lapachoneDehydro-.alpha.-lapaconeDehydro-alpha-lapacholDehydro-alpha-lapachoneDehydrolapachoneNSC 106453NSC 629748Xyloidone (VAN)ZINC00338411alpha-Lapachone, dehydro-

Cross References

Trusted external identifiers retained for this final record.

Cas
15297-92-4
Herb
HBIN048524
Npass
NPC291799
Tcmsp
MOL006174
Sym Map
SMIT07833
Pub Chem
72734
Tcmbank
TCMBANKIN014926

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
In Ch I
InChI=1S/C15H12O3/c1-15(2)8-7-11-12(16)9-5-3-4-6-10(9)13(17)14(11)18-15/h3-8H,1-2H3
Mol Wt
240.258
Cas Id
15297-92-4
Smiles
CC1(C=CC2=C(O1)C(=O)C3=CC=CC=C3C2=O)C
Mol Log P
2.684700000000001
Version
v1,v2
In Ch Ikey
OWFHAMHRUCUSRM-UHFFFAOYSA-N
Ob Score
31.61258431.6125842731.613
Suppress
0
Num Hdonors
0
Drug Likeness
0.7
Num Hacceptors
3
Isomeric Smiles
CC1(C=CC2=C(O1)C(=O)C3=CC=CC=C3C2=O)C
Molecule Weight
240.27
Canonical Smiles
CC1(C=CC2=C(O1)C(=O)C3=CC=CC=C3C2=O)C
Herb Alias Names
Dehydro-alpha-lapachone15297-92-4Dehydrolapachone2,2-dimethylbenzo[g]chromene-5,10-dione2,2-Dimethyl-2H-benzo[g]chromene-5,10-dioneDehydro-.alpha.-lapacholDehydro-.alpha.-lapaconeDehydro-.alpha.-lapachone.alpha.-Lapachone, dehydro-
Molecular Weight
240.25
Molecular Formula
C15H12O3
Molecular Formula
C15H12O3
Num Rotatable Bonds
0