Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 7Ingredient: 1Target: 12Links: 19
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 11412
- Core Entity Id
- 15852
- Source Entity Count
- 1
- Preferred Name
- Aristololactum
- Name En
- Pubchem Id
- 96710
- Smiles Canonical
- COC1=CC=CC2=C3C4=C(C=C21)NC(=O)C4=CC5=C3OCO5
- Molecular Formula
- C17H11NO4
- Molecular Weight
- 293.2780
- Inchikey
- MXOKGWUJNGEKBH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H11NO4/c1-20-12-4-2-3-8-9(12)5-11-14-10(17(19)18-11)6-13-16(15(8)14)22-7-21-13/h2-6H,7H2,1H3,(H,18,19)
- Isomeric Smiles
- COC1=CC=CC2=C3C4=C(C=C21)NC(=O)C4=CC5=C3OCO5
- Cas Id
- 13395-02-3
- Ob Score
- 24.1480
- Mol Logp
- 3.2960
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6990
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Aristololactum
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Aristololactum
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Aristololactum
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Aristololactum
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
13395-02-3
Role
alias
Source
TCMBank
Preferred
No
Name
13395-02-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
13395-02-3
Role
alias
Source
HERB_v2
Preferred
No
Name
4-27-00-06628 (Beilstein Handbook Reference)
Role
alias
Source
TCMBank
Preferred
No
Name
ARISTOLOLACTAM
Role
alias
Source
TCMBank
Preferred
No
Name
Aristolactam
Role
alias
Source
TCMBank
Preferred
No
Name
Aristolactam
Role
alias
Source
HERB_v2
Preferred
No
Name
Aristolactam
Role
alias
Source
itcmdb_public
Preferred
No
Name
Aristolactam I
Role
alias
Source
HERB_v2
Preferred
No
Name
Aristolactam I
Role
alias
Source
itcmdb_public
Preferred
No
Name
Aristolactam I
Role
alias
Source
TCMBank
Preferred
No
Name
Aristololactam
Role
alias
Source
itcmdb_public
Preferred
No
Name
Aristololactam
Role
alias
Source
HERB_v2
Preferred
No
Name
Aristololactam I
Role
alias
Source
itcmdb_public
Preferred
No
Name
Aristololactam I
Role
alias
Source
HERB_v2
Preferred
No
Name
BRN 0307971
Role
alias
Source
HERB_v2
Preferred
No
Name
BRN 0307971
Role
alias
Source
TCMBank
Preferred
No
Name
BRN 0307971
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benzo(f)-1,3-benzodioxolo(6,5,4-cd)indol-5(6H)-one, 8-methoxy-
Role
alias
Source
TCMBank
Preferred
No
Name
CCRIS 1545
Role
alias
Source
HERB_v2
Preferred
No
Name
CCRIS 1545
Role
alias
Source
TCMBank
Preferred
No
Name
CCRIS 1545
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC 87406
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC 87406
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 87406
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
13395-02-34-27-00-06628 (Beilstein Handbook Reference)ARISTOLOLACTAMAristolactamAristolactam IAristololactam IBRN 0307971Benzo(f)-1,3-benzodioxolo(6,5,4-cd)indol-5(6H)-one, 8-methoxy-CCRIS 1545NSC 87406
Cross References
Trusted external identifiers retained for this final record.
Cas
13395-02-3
Herb
HBIN016758HBIN016774HBIN016822
Npass
NPC296742
Tcmid
169836697
Tcmsp
MOL002345
Sym Map
SMIT04604
Tcm Id
6672
Pub Chem
96710
Tcmbank
TCMBANKIN061875
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C17H11NO4/c1-20-12-4-2-3-8-9(12)5-11-14-10(17(19)18-11)6-13-16(15(8)14)22-7-21-13/h2-6H,7H2,1H3,(H,18,19)
Mol Wt
293.2780000000001
Cas Id
13395-02-3
Smiles
COC1=CC=CC2=C3C4=C(C=C21)NC(=O)C4=CC5=C3OCO5
Mol Log P
3.296000000000001
Version
v1,v2
In Ch Ikey
MXOKGWUJNGEKBH-UHFFFAOYSA-N
Ob Score
24.14824.14849124.14849113
Suppress
0
Num Hdonors
1
Drug Likeness
0.699
Num Hacceptors
4
Isomeric Smiles
COC1=CC=CC2=C3C4=C(C=C21)NC(=O)C4=CC5=C3OCO5
Molecule Weight
293.29
Canonical Smiles
COC1=CC=CC2=C3C4=C(C=C21)NC(=O)C4=CC5=C3OCO5
Herb Alias Names
AristololactamAristolactam I13395-02-3Aristololactam IAristolactamNSC 87406CCRIS 1545BRN 0307971AristololactamAristolactam
Molecular Weight
293.27g/mol
Molecular Formula
C17H11NO4
Molecular Formula
C17H11NO4
Num Rotatable Bonds
1