Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Target: 5Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 27254
- Core Entity Id
- 33478
- Source Entity Count
- 1
- Preferred Name
- N-demethylnoracronycine
- Name En
- Pubchem Id
- 5479541
- Smiles Canonical
- CC1(C=CC2=C3C(=C(C=C2O1)O)C(=O)C4=CC=CC=C4N3)C
- Molecular Formula
- C18H15NO3
- Molecular Weight
- 293.3220
- Inchikey
- RPWNPBFZWFWZNJ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H15NO3/c1-18(2)8-7-11-14(22-18)9-13(20)15-16(11)19-12-6-4-3-5-10(12)17(15)21/h3-9,20H,1-2H3,(H,19,21)
- Isomeric Smiles
- CC1(C=CC2=C(O1)C=C(C3=C2NC4=CC=CC=C4C3=O)O)C
- Cas Id
- Ob Score
- Mol Logp
- 3.5711
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6230
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
N-Demethylnoracronycine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
N-Demethylnoracronycine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
N-demethylnoracronycine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
N-demethylnoracronycine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
n-demethylnoracronycine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
13396-93-5
Role
alias
Source
HERB_v2
Preferred
No
Name
13396-93-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,3-Dimethyl-6-hydroxy-3,12-dihydroxy-7H-pyrano(2,3-c)acridin-7-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,3-Dimethyl-6-hydroxy-3,12-dihydroxy-7H-pyrano(2,3-c)acridin-7-one
Role
alias
Source
HERB_v2
Preferred
No
Name
6-hydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-hydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one
Role
alias
Source
HERB_v2
Preferred
No
Name
7H-Pyrano(2,3-c)acridin-7-one, 3,12-dihydro-6-hydroxy-3,3-dimethyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
7H-Pyrano(2,3-c)acridin-7-one, 3,12-dihydro-6-hydroxy-3,3-dimethyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:229180
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:229180
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL454569
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL454569
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID20158436
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID20158436
Role
alias
Source
HERB_v2
Preferred
No
Name
Des-N-methyl-noracronycine
Role
alias
Source
itcmdb_public
Preferred
No
Name
des-N-methylnoracronycine
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
13396-93-53,3-Dimethyl-6-hydroxy-3,12-dihydroxy-7H-pyrano(2,3-c)acridin-7-one6-hydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one7H-Pyrano(2,3-c)acridin-7-one, 3,12-dihydro-6-hydroxy-3,3-dimethyl-CHEBI:229180CHEMBL454569DTXSID20158436Des-N-methyl-noracronycinedes-N-methylnoracronycine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN036491
Npass
NPC288759
Tcmid
5088
Sym Map
SMIT25608
Pub Chem
5479541
Tcmbank
TCMBANKIN026012
Etcm Ingredient
N-Demethylnoracronycine
Itcmdb Generated
ITX-INGREDIENT-81FBBE122FF4ITX-INGREDIENT-C8D2FB99AC40
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C18H15NO3/c1-18(2)8-7-11-14(22-18)9-13(20)15-16(11)19-12-6-4-3-5-10(12)17(15)21/h3-9,20H,1-2H3,(H,19,21)
Mol Wt
293.3220000000001
Smiles
CC1(C=CC2=C3C(=C(C=C2O1)O)C(=O)C4=CC=CC=C4N3)C
Mol Log P
3.571100000000002
Version
v2
In Ch Ikey
RPWNPBFZWFWZNJ-UHFFFAOYSA-N
Suppress
0
Num Hdonors
2
Drug Likeness
0.623
Num Hacceptors
3
Isomeric Smiles
CC1(C=CC2=C(O1)C=C(C3=C2NC4=CC=CC=C4C3=O)O)C
Canonical Smiles
CC1(C=CC2=C(O1)C=C(C3=C2NC4=CC=CC=C4C3=O)O)C
Herb Alias Names
13396-93-57H-Pyrano(2,3-c)acridin-7-one, 3,12-dihydro-6-hydroxy-3,3-dimethyl-6-hydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-onedes-N-methylnoracronycineDes-N-methyl-noracronycineCHEMBL454569DTXSID20158436CHEBI:2291803,3-Dimethyl-6-hydroxy-3,12-dihydroxy-7H-pyrano(2,3-c)acridin-7-one
Molecular Weight
277.110
Molecular Formula
C18H15NO2
Molecular Formula
C18H15NO3
Molecular Formula
C18H15NO3
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.848
Quantitative Estimate Of Drug Likeness（Qed）
0.634