Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 32215
- Core Entity Id
- 38996
- Source Entity Count
- 1
- Preferred Name
- Rutacridone
- Name En
- Pubchem Id
- 5281849
- Smiles Canonical
- CC(=C)C1CC2=C(O1)C=C(C3=C2N(C4=CC=CC=C4C3=O)C)O
- Molecular Formula
- C19H17NO3
- Molecular Weight
- 307.3490
- Inchikey
- FHAGACMCMQYSNX-UHFFFAOYSA-N
- Inchi
- InChI=1S/C19H17NO3/c1-10(2)15-8-12-16(23-15)9-14(21)17-18(12)20(3)13-7-5-4-6-11(13)19(17)22/h4-7,9,15,21H,1,8H2,2-3H3
- Isomeric Smiles
- CC(=C)C1CC2=C(O1)C=C(C3=C2N(C4=CC=CC=C4C3=O)C)O
- Cas Id
- Ob Score
- Mol Logp
- 3.2769
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5540
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Rutacridone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Rutacridone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Rutacridone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
rutacridone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(-)-Rutacridone
Role
alias
Source
HERB_v2
Preferred
No
Name
(-)-Rutacridone
Role
alias
Source
itcmdb_public
Preferred
No
Name
17948-33-3
Role
alias
Source
HERB_v2
Preferred
No
Name
17948-33-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-hydroxy-11-methyl-2-prop-1-en-2-yl-1,2-dihydrofuro[2,3-c]acridin-6-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5-hydroxy-11-methyl-2-prop-1-en-2-yl-1,2-dihydrofuro[2,3-c]acridin-6-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
BLJ6T7UY0D
Role
alias
Source
itcmdb_public
Preferred
No
Name
BLJ6T7UY0D
Role
alias
Source
HERB_v2
Preferred
No
Name
BRN 1086707
Role
alias
Source
itcmdb_public
Preferred
No
Name
BRN 1086707
Role
alias
Source
HERB_v2
Preferred
No
Name
CCRIS 3340
Role
alias
Source
HERB_v2
Preferred
No
Name
CCRIS 3340
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC 628875
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC 628875
Role
alias
Source
HERB_v2
Preferred
No
Name
Rutacridon
Role
alias
Source
HERB_v2
Preferred
No
Name
Rutacridon
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-BLJ6T7UY0D
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-BLJ6T7UY0D
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(-)-Rutacridone17948-33-35-hydroxy-11-methyl-2-prop-1-en-2-yl-1,2-dihydrofuro[2,3-c]acridin-6-oneBLJ6T7UY0DBRN 1086707CCRIS 3340NSC 628875RutacridonUNII-BLJ6T7UY0D
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN042653
Tcmid
19062
Pub Chem
5281849
Tcmbank
TCMBANKIN028007
Etcm Ingredient
Rutacridone
Itcmdb Generated
ITX-INGREDIENT-FCBDA46545A6
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H17NO3/c1-10(2)15-8-12-16(23-15)9-14(21)17-18(12)20(3)13-7-5-4-6-11(13)19(17)22/h4-7,9,15,21H,1,8H2,2-3H3
Mol Wt
307.349
Smiles
CC(=C)C1CC2=C(O1)C=C(C3=C2N(C4=CC=CC=C4C3=O)C)O
Mol Log P
3.276900000000003
In Ch Ikey
FHAGACMCMQYSNX-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.554
Num Hacceptors
4
Isomeric Smiles
CC(=C)C1CC2=C(O1)C=C(C3=C2N(C4=CC=CC=C4C3=O)C)O
Canonical Smiles
CC(=C)C1CC2=C(O1)C=C(C3=C2N(C4=CC=CC=C4C3=O)C)O
Herb Alias Names
17948-33-3Rutacridon(-)-RutacridoneCCRIS 3340UNII-BLJ6T7UY0DBLJ6T7UY0DNSC 628875BRN 10867075-hydroxy-11-methyl-2-prop-1-en-2-yl-1,2-dihydrofuro[2,3-c]acridin-6-one
Molecular Weight
307.120
Molecular Weight
307.3 g/mol
Molecular Formula
C19H17NO3
Molecular Formula
C19H17NO3
Molecular Formula
C19H17NO3
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.915
Quantitative Estimate Of Drug Likeness（Qed）
0.554