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
- 26659
- Core Entity Id
- 32822
- Source Entity Count
- 1
- Preferred Name
- Morindone-5-methylether
- Name En
- Pubchem Id
- 482558
- Smiles Canonical
- CC1=C(C2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3OC)O)O
- Molecular Formula
- C16H12O5
- Molecular Weight
- 284.2670
- Inchikey
- QJRHLPRUPYDZHC-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H12O5/c1-7-3-4-8-11(13(7)18)14(19)9-5-6-10(17)16(21-2)12(9)15(8)20/h3-6,17-18H,1-2H3
- Isomeric Smiles
- CC1=C(C2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3OC)O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.1902
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7150
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Morindone-5-methylether
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Morindone-5-methylether
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Morindone-5-methylether
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
morindone-5-methylether
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,6-Dihydroxy-5-methoxy-2-methyl-anthraquinone
Role
alias
Source
HERB_v2
Preferred
No
Name
1,6-Dihydroxy-5-methoxy-2-methyl-anthraquinone
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,6-dihydroxy-5-methoxy-2-methyl-anthracene-9,10-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,6-dihydroxy-5-methoxy-2-methylanthracene-9,10-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
64809-71-8
Role
alias
Source
HERB_v2
Preferred
No
Name
64809-71-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
9,10-Anthracenedione, 1,6-dihydroxy-5-methoxy-2-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
9,10-Anthracenedione, 1,6-dihydroxy-5-methoxy-2-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID80333106
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID80333106
Role
alias
Source
HERB_v2
Preferred
No
Name
Morindone-5-methyl ether
Role
alias
Source
HERB_v2
Preferred
No
Name
Morindone-5-methyl ether
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,6-Dihydroxy-5-methoxy-2-methyl-anthraquinone1,6-dihydroxy-5-methoxy-2-methyl-anthracene-9,10-dione1,6-dihydroxy-5-methoxy-2-methylanthracene-9,10-dione64809-71-89,10-Anthracenedione, 1,6-dihydroxy-5-methoxy-2-methyl-DTXSID80333106Morindone-5-methyl ether
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN035755
Npass
NPC311890
Tcmid
14967
Pub Chem
482558
Tcmbank
TCMBANKIN048210
Etcm Ingredient
Morindone-5-methylether
Itcmdb Generated
ITX-INGREDIENT-A24D75BA4049
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H12O5/c1-7-3-4-8-11(13(7)18)14(19)9-5-6-10(17)16(21-2)12(9)15(8)20/h3-6,17-18H,1-2H3
Mol Wt
284.2669999999999
Smiles
CC1=C(C2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3OC)O)O
Mol Log P
2.190220000000001
In Ch Ikey
QJRHLPRUPYDZHC-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/14975.mol2
Reference
542
Num Hdonors
2
Drug Likeness
0.715
Num Hacceptors
5
Isomeric Smiles
CC1=C(C2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3OC)O)O
Canonical Smiles
CC1=C(C2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3OC)O)O
Herb Alias Names
64809-71-81,6-dihydroxy-5-methoxy-2-methylanthracene-9,10-dioneMorindone-5-methyl ether9,10-Anthracenedione, 1,6-dihydroxy-5-methoxy-2-methyl-DTXSID803331061,6-Dihydroxy-5-methoxy-2-methyl-anthraquinone1,6-dihydroxy-5-methoxy-2-methyl-anthracene-9,10-dione
Molecular Weight
284.070
Molecular Weight
284.26 g/mol
Molecular Formula
C16H12O5
Molecular Formula
C16H12O5
Molecular Formula
C16H12O5
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.623
Quantitative Estimate Of Drug Likeness（Qed）
0.715