Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 11Links: 11
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 25817
- Core Entity Id
- 31890
- Source Entity Count
- 1
- Preferred Name
- Melicopine
- Name En
- Pubchem Id
- 68433
- Smiles Canonical
- CN1C2=CC=CC=C2C(=O)C3=C1C4=C(C(=C3OC)OC)OCO4
- Molecular Formula
- C17H15NO5
- Molecular Weight
- 313.3090
- Inchikey
- PEWWLIQAXYMMAN-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H15NO5/c1-18-10-7-5-4-6-9(10)13(19)11-12(18)15-17(23-8-22-15)16(21-3)14(11)20-2/h4-7H,8H2,1-3H3
- Isomeric Smiles
- CN1C2=CC=CC=C2C(=O)C3=C1C4=C(C(=C3OC)OC)OCO4
- Cas Id
- 568-01-4
- Ob Score
- Mol Logp
- 2.4376
- Num H Donors
- 0
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6800
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Melicopine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Melicopine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
melicopine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4,5-Dimethoxy-11-methyl-1,3-dioxolo[4,5-c]acridin-6(11H)-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
4,5-Dimethoxy-11-methyl-1,3-dioxolo[4,5-c]acridin-6(11H)-one
Role
alias
Source
HERB_v2
Preferred
No
Name
4,5-dimethoxy-11-methyl-[1,3]dioxolo[4,5-c]acridin-6-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
4,5-dimethoxy-11-methyl-[1,3]dioxolo[4,5-c]acridin-6-one
Role
alias
Source
HERB_v2
Preferred
No
Name
568-01-4
Role
alias
Source
HERB_v2
Preferred
No
Name
568-01-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 209-308-1
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 209-308-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
MLS002607894
Role
alias
Source
HERB_v2
Preferred
No
Name
MLS002607894
Role
alias
Source
itcmdb_public
Preferred
No
Name
N1AK9P0BVM
Role
alias
Source
HERB_v2
Preferred
No
Name
N1AK9P0BVM
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC 34758
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC-34758
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-N1AK9P0BVM
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-N1AK9P0BVM
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
4,5-Dimethoxy-11-methyl-1,3-dioxolo[4,5-c]acridin-6(11H)-one4,5-dimethoxy-11-methyl-[1,3]dioxolo[4,5-c]acridin-6-one568-01-4EINECS 209-308-1MLS002607894N1AK9P0BVMNSC 34758NSC-34758UNII-N1AK9P0BVM
Cross References
Trusted external identifiers retained for this final record.
Cas
568-01-4
Herb
HBIN034683
Npass
NPC118154
Tcm Id
2770
Pub Chem
68433
Tcmbank
TCMBANKIN032766
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H15NO5/c1-18-10-7-5-4-6-9(10)13(19)11-12(18)15-17(23-8-22-15)16(21-3)14(11)20-2/h4-7H,8H2,1-3H3
Mol Wt
313.309
Cas Id
568-01-4
Smiles
CN1C2=CC=CC=C2C(=O)C3=C1C4=C(C(=C3OC)OC)OCO4
Mol Log P
2.437600000000001
In Ch Ikey
PEWWLIQAXYMMAN-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.68
Num Hacceptors
6
Isomeric Smiles
CN1C2=CC=CC=C2C(=O)C3=C1C4=C(C(=C3OC)OC)OCO4
Canonical Smiles
CN1C2=CC=CC=C2C(=O)C3=C1C4=C(C(=C3OC)OC)OCO4
Herb Alias Names
568-01-44,5-Dimethoxy-11-methyl-1,3-dioxolo[4,5-c]acridin-6(11H)-one4,5-dimethoxy-11-methyl-[1,3]dioxolo[4,5-c]acridin-6-oneN1AK9P0BVMMLS002607894EINECS 209-308-1UNII-N1AK9P0BVMNSC 34758NSC-34758
Molecular Weight
313.3
Molecular Formula
C17H15NO5
Molecular Formula
C17H15NO5
Num Rotatable Bonds
2