Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 5Ingredient: 1Target: 1Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 25565
- Core Entity Id
- 31611
- Source Entity Count
- 1
- Preferred Name
- Mansonone e
- Name En
- Pubchem Id
- 94303
- Smiles Canonical
- CC1COC2=C(C(=O)C(=O)C3=C(C=CC1=C32)C)C
- Molecular Formula
- C15H14O3
- Molecular Weight
- 242.2740
- Inchikey
- SYWTYRLIJCHSLJ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H14O3/c1-7-4-5-10-8(2)6-18-15-9(3)13(16)14(17)11(7)12(10)15/h4-5,8H,6H2,1-3H3
- Isomeric Smiles
- CC1COC2=C(C(=O)C(=O)C3=C(C=CC1=C32)C)C
- Cas Id
- Ob Score
- Mol Logp
- 2.6251
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6570
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Mansonone E
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Mansonone e
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Mansonone e
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
mansonone e
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,3-Dihydro-3,6,9-trimethylnaphtho[1,8-bc]pyran-7,8-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,3-Dihydro-3,6,9-trimethylnaphtho[1,8-bc]pyran-7,8-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
3,6,9-Trimethyl-2,3-dihydrobenzo[de]chromene-7,8-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
3,6,9-Trimethyl-2,3-dihydrobenzo[de]chromene-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),5(13),6,8-tetraene-10,11-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
4,8,12-trimethyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8-tetraene-10,11-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
5090-87-9
Role
alias
Source
HERB_v2
Preferred
No
Name
5090-87-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL362672
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL362672
Role
alias
Source
itcmdb_public
Preferred
No
Name
Naphtho(1,8-bc)pyran-7,8-dione, 2,3-dihydro-3,6,9-trimethyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Naphtho(1,8-bc)pyran-7,8-dione, 2,3-dihydro-3,6,9-trimethyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL7755715
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL7755715
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2,3-Dihydro-3,6,9-trimethylnaphtho[1,8-bc]pyran-7,8-dione3,6,9-Trimethyl-2,3-dihydrobenzo[de]chromene-7,8-dione4,8,12-trimethyl-2-oxatricyclo(7.3.1.05,13)trideca-1(12),5(13),6,8-tetraene-10,11-dione4,8,12-trimethyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8-tetraene-10,11-dione5090-87-9CHEMBL362672Naphtho(1,8-bc)pyran-7,8-dione, 2,3-dihydro-3,6,9-trimethyl-SCHEMBL7755715
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN034431
Npass
NPC135730
Tcmid
13508
Pub Chem
94303
Tcmbank
TCMBANKIN015905
Etcm Ingredient
Mansonone E
Itcmdb Generated
ITX-INGREDIENT-F16D871B9DAF
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H14O3/c1-7-4-5-10-8(2)6-18-15-9(3)13(16)14(17)11(7)12(10)15/h4-5,8H,6H2,1-3H3
Mol Wt
242.274
Smiles
CC1COC2=C(C(=O)C(=O)C3=C(C=CC1=C32)C)C
Mol Log P
2.625120000000001
In Ch Ikey
SYWTYRLIJCHSLJ-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.657
Num Hacceptors
3
Isomeric Smiles
CC1COC2=C(C(=O)C(=O)C3=C(C=CC1=C32)C)C
Canonical Smiles
CC1COC2=C(C(=O)C(=O)C3=C(C=CC1=C32)C)C
Herb Alias Names
5090-87-93,6,9-Trimethyl-2,3-dihydrobenzo[de]chromene-7,8-dione2,3-Dihydro-3,6,9-trimethylnaphtho[1,8-bc]pyran-7,8-dioneNaphtho(1,8-bc)pyran-7,8-dione, 2,3-dihydro-3,6,9-trimethyl-Naphtho[1,8-bc]pyran-7,8-dione, 2,3-dihydro-3,6,9-trimethyl-4,8,12-trimethyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8-tetraene-10,11-dione4,8,12-trimethyl-2-oxatricyclo(7.3.1.05,13)trideca-1(12),5(13),6,8-tetraene-10,11-dioneCHEMBL362672SCHEMBL7755715
Molecular Weight
242.090
Molecular Weight
242.27 g/mol
Molecular Formula
C15H14O3
Molecular Formula
C15H14O3
Molecular Formula
C15H14O3
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.434
Quantitative Estimate Of Drug Likeness（Qed）
0.689