ITCMDBv1
IngredientID 25863

Menisporphine

C19H15NO4

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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
25863
Core Entity Id
31939
Source Entity Count
1
Preferred Name
Menisporphine
Name En
Pubchem Id
150032
Smiles Canonical
COC1=CC2=C(C=C1)C3=NC=CC4=CC(=C(C(=C43)C2=O)OC)OC
Molecular Formula
C19H15NO4
Molecular Weight
321.3320
Inchikey
LHRMNRPHVHDOJH-UHFFFAOYSA-N
Inchi
InChI=1S/C19H15NO4/c1-22-11-4-5-12-13(9-11)18(21)16-15-10(6-7-20-17(12)15)8-14(23-2)19(16)24-3/h4-9H,1-3H3
Isomeric Smiles
COC1=CC2=C(C=C1)C3=NC=CC4=CC(=C(C(=C43)C2=O)OC)OC
Cas Id
83287-02-9
Ob Score
24.3310
Mol Logp
3.4720
Num H Donors
0
Num H Acceptors
5
Num Rotatable Bonds
3
Drug Likeness
0.5780
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name
Menisporphine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Menisporphine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Menisporphine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Menisporphine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Menisporphine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
BIAN FU GE GEN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Asiatic Moonseed Root
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
5,10,11-TRIMETHOXY-16-AZATETRACYCLO[7.7.1.0(2),?.0(1)(3),(1)?]HEPTADECA-1(16),2,4,6,9(17),10,12,14-OCTAEN-8-ONE
Role
alias
Source
TCMBank
Preferred
No
Name
5,10,11-trimethoxy-16-azatetracyclo(7.7.1.02,7.013,17)heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,10,11-trimethoxy-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one
Role
alias
Source
HERB_v2
Preferred
No
Name
7H-Dibenzo(de,h)quinolin-7-one, 5,6,9-trimethoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
7H-Dibenzo(de,h)quinolin-7-one, 5,6,9-trimethoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
7H-Dibenzo(de,h)quinolin-7-one, 5,6,9-trimethoxy-
Role
alias
Source
TCMBank
Preferred
No
Name
83287-02-9
Role
alias
Source
TCMBank
Preferred
No
Name
83287-02-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
83287-02-9
Role
alias
Source
HERB_v2
Preferred
No
Name
AC1L43II
Role
alias
Source
TCMBank
Preferred
No
Name
BRN 5111080
Role
alias
Source
TCMBank
Preferred
No
Name
BRN 5111080
Role
alias
Source
HERB_v2
Preferred
No
Name
BRN 5111080
Role
alias
Source
itcmdb_public
Preferred
No
Name
CCRIS 3818
Role
alias
Source
TCMBank
Preferred
No
Name
CCRIS 3818
Role
alias
Source
HERB_v2
Preferred
No
Name
CCRIS 3818
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXCID20154736
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXCID20154736
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID20232245
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID20232245
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID20232245
Role
alias
Source
TCMBank
Preferred
No
Name
HY-N11032
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N11032
Role
alias
Source
itcmdb_public
Preferred
No
Name
LS-61247
Role
alias
Source
TCMBank
Preferred
No
Name
menisporphine
Role
alias
Source
TCMBank
Preferred
No

Aliases

Additional names normalized into the restored final schema.

BIAN FU GE GENAsiatic Moonseed Root5,10,11-TRIMETHOXY-16-AZATETRACYCLO[7.7.1.0(2),?.0(1)(3),(1)?]HEPTADECA-1(16),2,4,6,9(17),10,12,14-OCTAEN-8-ONE5,10,11-trimethoxy-16-azatetracyclo(7.7.1.02,7.013,17)heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one5,10,11-trimethoxy-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one7H-Dibenzo(de,h)quinolin-7-one, 5,6,9-trimethoxy-83287-02-9AC1L43IIBRN 5111080CCRIS 3818DTXCID20154736DTXSID20232245HY-N11032LS-61247

Cross References

Trusted external identifiers retained for this final record.

Cas
83287-02-9
Herb
HBIN034739
Npass
NPC57095
Tcmid
13710
Tcmsp
MOL000782
Sym Map
SMIT03308SMIT16454
Pub Chem
150032
Tcmbank
TCMBANKIN043379
Etcm Ingredient
Menisporphine
Itcmdb Generated
ITX-INGREDIENT-302A14182033

Attributes

Merged source attributes and domain-specific metadata.

In Ch I
InChI=1S/C19H15NO4/c1-22-11-4-5-12-13(9-11)18(21)16-15-10(6-7-20-17(12)15)8-14(23-2)19(16)24-3/h4-9H,1-3H3
Mol Wt
321.3320000000001
Cas Id
83287-02-9
Mol Log P
3.472000000000001
Version
v1,v2
In Ch Ikey
LHRMNRPHVHDOJH-UHFFFAOYSA-N
Ob Score
24.33124.33100224.33100231
Suppress
1
Tcm Name2
BIAN FU GE GEN
Mol2 Path
/TCM_database/2007_3d_all/13717.mol2
Reference
1267
Num Hdonors
0
Tcm Name En
Asiatic Moonseed Root
Drug Likeness
0.578
Num Hacceptors
5
Isomeric Smiles
COC1=CC2=C(C=C1)C3=NC=CC4=CC(=C(C(=C43)C2=O)OC)OC
Molecule Weight
321.35
Canonical Smiles
COC1=CC2=C(C=C1)C3=NC=CC4=CC(=C(C(=C43)C2=O)OC)OC
Herb Alias Names
83287-02-9CCRIS 3818BRN 51110805,10,11-trimethoxy-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-oneDTXSID202322457H-Dibenzo(de,h)quinolin-7-one, 5,6,9-trimethoxy-5,10,11-trimethoxy-16-azatetracyclo(7.7.1.02,7.013,17)heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-oneDTXCID20154736HY-N11032
Molecular Weight
321.100
Molecular Weight
321.33
Molecular Formula
C19H15NO4
Molecular Formula
C19H15NO4
Num Rotatable Bonds
3
Link Ingredient Id
3308.0
Fda Maximum Daily Dose (Fdamdd)
0.505
Quantitative Estimate Of Drug Likeness（Qed）
0.578