Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 3Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 11318
- Core Entity Id
- 15748
- Source Entity Count
- 1
- Preferred Name
- Arenarine c
- Name En
- Pubchem Id
- 188439
- Smiles Canonical
- CC(=O)C1=NC=CC2=C1NC3=C2C=CC(=C3)OC
- Molecular Formula
- C14H12N2O2
- Molecular Weight
- 240.2620
- Inchikey
- SNGVLDNQSXBDPZ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C14H12N2O2/c1-8(17)13-14-11(5-6-15-13)10-4-3-9(18-2)7-12(10)16-14/h3-7,16H,1-2H3
- Isomeric Smiles
- CC(=O)C1=NC=CC2=C1NC3=C2C=CC(=C3)OC
- Cas Id
- Ob Score
- Mol Logp
- 2.9273
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7010
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Arenarine C
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Arenarine c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Arenarine c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
雪灵芝
Role
TCM_name
Source
TCMBank
Preferred
No
Name
XUE LING ZHI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Kansu Sandwort
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
1-(7-Methoxy-9H-beta-carbolin-1-yl)ethanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-(7-Methoxy-9H-beta-carbolin-1-yl)ethanone
Role
alias
Source
HERB_v2
Preferred
No
Name
1-(7-Methoxy-9H-pyrido[3,4-b]indol-1-yl)ethan-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1-(7-Methoxy-9H-pyrido[3,4-b]indol-1-yl)ethan-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-(7-Methoxy-9h-pyrido[3,4-b]indol-1-yl)-ethanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)ethanone
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Acetyl-1-demethylharmine
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Acetyl-1-demethylharmine
Role
alias
Source
itcmdb_public
Preferred
No
Name
62230-10-8
Role
alias
Source
HERB_v2
Preferred
No
Name
62230-10-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
Acetylnorharmin
Role
alias
Source
HERB_v2
Preferred
No
Name
Acetylnorharmin
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1957115
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1957115
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL645800
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL645800
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
雪灵芝XUE LING ZHIKansu Sandwort1-(7-Methoxy-9H-beta-carbolin-1-yl)ethanone1-(7-Methoxy-9H-pyrido[3,4-b]indol-1-yl)ethan-1-one1-(7-Methoxy-9h-pyrido[3,4-b]indol-1-yl)-ethanone1-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)ethanone1-Acetyl-1-demethylharmine62230-10-8AcetylnorharminCHEMBL1957115SCHEMBL645800
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN016705
Npass
NPC122436
Tcmid
1661
Pub Chem
188439
Tcmbank
TCMBANKIN045580
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C14H12N2O2/c1-8(17)13-14-11(5-6-15-13)10-4-3-9(18-2)7-12(10)16-14/h3-7,16H,1-2H3
Mol Wt
240.262
Mol Log P
2.927300000000001
In Ch Ikey
SNGVLDNQSXBDPZ-UHFFFAOYSA-N
Tcm Name
雪灵芝
Tcm Name2
XUE LING ZHI
Mol2 Path
/TCM_database/2007_3d_all/01661.mol2
Reference
660
Num Hdonors
1
Tcm Name En
Kansu Sandwort
Drug Likeness
0.701
Num Hacceptors
3
Isomeric Smiles
CC(=O)C1=NC=CC2=C1NC3=C2C=CC(=C3)OC
Canonical Smiles
CC(=O)C1=NC=CC2=C1NC3=C2C=CC(=C3)OC
Herb Alias Names
62230-10-81-(7-Methoxy-9H-pyrido[3,4-b]indol-1-yl)ethan-1-one1-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)ethanoneAcetylnorharmin1-(7-Methoxy-9h-pyrido[3,4-b]indol-1-yl)-ethanone1-(7-Methoxy-9H-beta-carbolin-1-yl)ethanone1-Acetyl-1-demethylharmineSCHEMBL645800CHEMBL1957115
Molecular Weight
240.26 g/mol
Molecular Formula
C14H12N2O2
Num Rotatable Bonds
2