IngredientID 32667

Sauristolactam

C17H13NO3

Relationship Network

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Herb: 3Ingredient: 1Links: 3

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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 32667
Core Entity Id: 39503
Source Entity Count: 1
Preferred Name: Sauristolactam
Name En
Pubchem Id: 131002
Smiles Canonical: CN1C2=CC3=CC=CC=C3C4=C2C(=CC(=C4OC)O)C1=O
Molecular Formula: C17H13NO3
Molecular Weight: 279.2950
Inchikey: WRFZNTLPRUIGKH-UHFFFAOYSA-N
Inchi: InChI=1S/C17H13NO3/c1-18-12-7-9-5-3-4-6-10(9)15-14(12)11(17(18)20)8-13(19)16(15)21-2/h3-8,19H,1-2H3
Isomeric Smiles: CN1C2=CC3=CC=CC=C3C4=C2C(=CC(=C4OC)O)C1=O
Cas Id
Ob Score
Mol Logp: 3.2972
Num H Donors: 1
Num H Acceptors: 3
Num Rotatable Bonds: 1
Drug Likeness: 0.6950
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name

Sauristolactam

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Sauristolactam

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Sauristolactam

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Sauristolactam

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Sauristolactam

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

sauristolactam

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

梅州三白草

Role

TCM_name

Source

TCMBank

Preferred

Name

MEI ZHOU SAN BAI CAO

Role

TCM_name2

Source

TCMBank

Preferred

Name

Lizard’s-tail

Role

TCM_name_en

Source

TCMBank

Preferred

Name

128533-02-8

Role

alias

Source

TCMBank

Preferred

Name

128533-02-8

Role

alias

Source

HERB_v2

Preferred

Name

128533-02-8

Role

alias

Source

itcmdb_public

Preferred

Name

128533-02-8

Role

alias

Source

SymMap_v2

Preferred

Name

14-HYDROXY-15-METHOXY-10-METHYL-10-AZATETRACYCLO[7.6.1.0(2),?.0(1)(2),(1)?]HEXADECA-1,3,5,7,9(16),12,14-HEPTAEN-11-ONE

Role

alias

Source

SymMap_v2

Preferred

Name

14-HYDROXY-15-METHOXY-10-METHYL-10-AZATETRACYCLO[7.6.1.0(2),?.0(1)(2),(1)?]HEXADECA-1,3,5,7,9(16),12,14-HEPTAEN-11-ONE

Role

alias

Source

TCMBank

Preferred

Name

14-hydroxy-15-methoxy-10-methyl-10-azatetracyclo(7.6.1.02,7.012,16)hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one

Role

alias

Source

itcmdb_public

Preferred

Name

14-hydroxy-15-methoxy-10-methyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one

Role

alias

Source

HERB_v2

Preferred

Name

2-Hydroxy-1-methoxy-5-methyldibenz(cd,f)indol-4(5H)-one

Role

alias

Source

HERB_v2

Preferred

Name

2-Hydroxy-1-methoxy-5-methyldibenz(cd,f)indol-4(5H)-one

Role

alias

Source

SymMap_v2

Preferred

Name

2-Hydroxy-1-methoxy-5-methyldibenz(cd,f)indol-4(5H)-one

Role

alias

Source

TCMBank

Preferred

Name

2-Hydroxy-1-methoxy-5-methyldibenz(cd,f)indol-4(5H)-one

Role

alias

Source

itcmdb_public

Preferred

Name

2-hydroxy-1-methoxy-5-methyldibenzo[cd,f]indol-4(5H)-one

Role

alias

Source

itcmdb_public

Preferred

Name

2-hydroxy-1-methoxy-5-methyldibenzo[cd,f]indol-4(5H)-one

Role

alias

Source

HERB_v2

Preferred

Name

AC1L2YEP

Role

alias

Source

TCMBank

Preferred

Name

AC1L2YEP

Role

alias

Source

SymMap_v2

Preferred

Name

ACMC-20msvz

Role

alias

Source

TCMBank

Preferred

Name

ACMC-20msvz

Role

alias

Source

SymMap_v2

Preferred

Name

CHEMBL512443

Role

alias

Source

TCMBank

Preferred

Name

CHEMBL512443

Role

alias

Source

SymMap_v2

Preferred

Name

CTK0I2486

Role

alias

Source

SymMap_v2

Preferred

Name

CTK0I2486

Role

alias

Source

TCMBank

Preferred

Name

DTXSID80155921

Role

alias

Source

TCMBank

Preferred

Name

DTXSID80155921

Role

alias

Source

SymMap_v2

Preferred

Name

DTXSID80155921

Role

alias

Source

HERB_v2

Preferred

Name

DTXSID80155921

Role

alias

Source

itcmdb_public

Preferred

Name

Dibenz(cd,f)indol-4(5H)-one, 2-hydroxy-1-methoxy-5-methyl-

Role

alias

Source

TCMBank

Preferred

Name

Dibenz(cd,f)indol-4(5H)-one, 2-hydroxy-1-methoxy-5-methyl-

Role

alias

Source

SymMap_v2

Preferred

Name

Dibenz(cd,f)indol-4(5H)-one, 2-hydroxy-1-methoxy-5-methyl-

Role

alias

Source

HERB_v2

Preferred

Name

Dibenz[cd,f]indol-4(5H)-one, 2-hydroxy-1-methoxy-5-methyl-

Role

alias

Source

itcmdb_public

Preferred

Name

Sauristolactam

Role

alias

Source

SymMap_v2

Preferred

Name

Sauristolactam

Role

alias

Source

TCMBank

Preferred

Name

Sauristolactam (Saurolactam)

Role

alias

Source

itcmdb_public

Preferred

Name

Sauristolactam (Saurolactam)

Role

alias

Source

HERB_v2

Preferred

Name

Saurolactam

Role

alias

Source

SymMap_v2

Preferred

Name

Saurolactam

Role

alias

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

梅州三白草MEI ZHOU SAN BAI CAOLizard’s-tail128533-02-814-HYDROXY-15-METHOXY-10-METHYL-10-AZATETRACYCLO[7.6.1.0(2),?.0(1)(2),(1)?]HEXADECA-1,3,5,7,9(16),12,14-HEPTAEN-11-ONE14-hydroxy-15-methoxy-10-methyl-10-azatetracyclo(7.6.1.02,7.012,16)hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one14-hydroxy-15-methoxy-10-methyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one2-Hydroxy-1-methoxy-5-methyldibenz(cd,f)indol-4(5H)-one2-hydroxy-1-methoxy-5-methyldibenzo[cd,f]indol-4(5H)-oneAC1L2YEPACMC-20msvzCHEMBL512443CTK0I2486DTXSID80155921Dibenz(cd,f)indol-4(5H)-one, 2-hydroxy-1-methoxy-5-methyl-Dibenz[cd,f]indol-4(5H)-one, 2-hydroxy-1-methoxy-5-methyl-Sauristolactam (Saurolactam)Saurolactam

Cross References

Trusted external identifiers retained for this final record.

Herb

HBIN043233

Npass

NPC100573

Tcmid

19402

Sym Map

SMIT17610

Pub Chem

131002

Tcmbank

TCMBANKIN041129

Etcm Ingredient

sauristolactam

Itcmdb Generated

ITX-INGREDIENT-7E46776B5E9F

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

In Ch I

InChI=1S/C17H13NO3/c1-18-12-7-9-5-3-4-6-10(9)15-14(12)11(17(18)20)8-13(19)16(15)21-2/h3-8,19H,1-2H3

Mol Wt

279.295

Mol Log P

3.297200000000003

Version

v1,v2

In Ch Ikey

WRFZNTLPRUIGKH-UHFFFAOYSA-N

Suppress

Tcm Name

梅州三白草

Tcm Name2

MEI ZHOU SAN BAI CAO

Mol2 Path

/TCM_database/2007_3d_all/19417.mol2

Reference

2428, 4968

Num Hdonors

Tcm Name En

Lizard’s-tail

Drug Likeness

0.695

Num Hacceptors

Isomeric Smiles

CN1C2=CC3=CC=CC=C3C4=C2C(=CC(=C4OC)O)C1=O

Canonical Smiles

CN1C2=CC3=CC=CC=C3C4=C2C(=CC(=C4OC)O)C1=O

Herb Alias Names

128533-02-8Sauristolactam (Saurolactam)2-Hydroxy-1-methoxy-5-methyldibenz(cd,f)indol-4(5H)-oneDTXSID8015592114-hydroxy-15-methoxy-10-methyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one2-hydroxy-1-methoxy-5-methyldibenzo[cd,f]indol-4(5H)-oneDibenz(cd,f)indol-4(5H)-one, 2-hydroxy-1-methoxy-5-methyl-Dibenz[cd,f]indol-4(5H)-one, 2-hydroxy-1-methoxy-5-methyl-14-hydroxy-15-methoxy-10-methyl-10-azatetracyclo(7.6.1.02,7.012,16)hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one

Molecular Weight

279.090

Molecular Weight

279.29 g/mol

Molecular Formula

C17H13NO3

Molecular Formula

C17H13NO3

Num Rotatable Bonds

Fda Maximum Daily Dose (Fdamdd)

0.598

Quantitative Estimate Of Drug Likeness（Qed）

0.695