Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 25581
- Core Entity Id
- 31628
- Source Entity Count
- 1
- Preferred Name
- Mansonone f
- Name En
- Pubchem Id
- 94304
- Smiles Canonical
- CC1=C2C3=C(C=C1)C(=COC3=C(C(=O)C2=O)C)C
- Molecular Formula
- C15H12O3
- Molecular Weight
- 240.2580
- Inchikey
- WSRLWSPFIOAYST-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H12O3/c1-7-4-5-10-8(2)6-18-15-9(3)13(16)14(17)11(7)12(10)15/h4-6H,1-3H3
- Isomeric Smiles
- CC1=C2C3=C(C=C1)C(=COC3=C(C(=O)C2=O)C)C
- Cas Id
- Ob Score
- Mol Logp
- 2.8824
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6550
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Mansonone f
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Mansonone f
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
mansonone f
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3,6,9-trimethylnaphtho[1,8-bc]pyran-7,8-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
3,6,9-trimethylnaphtho[1,8-bc]pyran-7,8-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
4,8,12-trimethyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8-pentaene-10,11-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
4,8,12-trimethyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8-pentaene-10,11-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
5090-88-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
5090-88-0
Role
alias
Source
HERB_v2
Preferred
No
Name
BZI06H42QB
Role
alias
Source
HERB_v2
Preferred
No
Name
BZI06H42QB
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC 113136
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC-113136
Role
alias
Source
HERB_v2
Preferred
No
Name
Naphtho(1,8-bc)pyran-7,8-dione, 3,6,9-trimethyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Naphtho[1,8-bc]pyran-7,8-dione, 3,6,9-trimethyl-
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3,6,9-trimethylnaphtho[1,8-bc]pyran-7,8-dione4,8,12-trimethyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8-pentaene-10,11-dione5090-88-0BZI06H42QBNSC 113136NSC-113136Naphtho(1,8-bc)pyran-7,8-dione, 3,6,9-trimethyl-Naphtho[1,8-bc]pyran-7,8-dione, 3,6,9-trimethyl-
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN034432
Npass
NPC13784
Tcmid
13509
Pub Chem
94304
Tcmbank
TCMBANKIN047033
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H12O3/c1-7-4-5-10-8(2)6-18-15-9(3)13(16)14(17)11(7)12(10)15/h4-6H,1-3H3
Mol Wt
240.2579999999999
Smiles
CC1=C2C3=C(C=C1)C(=COC3=C(C(=O)C2=O)C)C
Mol Log P
2.882420000000002
In Ch Ikey
WSRLWSPFIOAYST-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/13516.mol2
Reference
2069
Num Hdonors
0
Drug Likeness
0.655
Num Hacceptors
3
Isomeric Smiles
CC1=C2C3=C(C=C1)C(=COC3=C(C(=O)C2=O)C)C
Canonical Smiles
CC1=C2C3=C(C=C1)C(=COC3=C(C(=O)C2=O)C)C
Herb Alias Names
5090-88-0BZI06H42QB3,6,9-trimethylnaphtho[1,8-bc]pyran-7,8-dioneNaphtho[1,8-bc]pyran-7,8-dione, 3,6,9-trimethyl-NSC-1131363,6,9-Trimethylnaphtho(1,8-bc)pyran-7,8-dione4,8,12-trimethyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8-pentaene-10,11-dioneNaphtho(1,8-bc)pyran-7,8-dione, 3,6,9-trimethyl-NSC 113136
Molecular Weight
240.25 g/mol
Molecular Formula
C15H12O3
Molecular Formula
C15H12O3
Num Rotatable Bonds
0