Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 29908
- Core Entity Id
- 36426
- Source Entity Count
- 1
- Preferred Name
- Picrasidine p
- Name En
- Pubchem Id
- 11042476
- Smiles Canonical
- COC1=CC=CC2=C1NC3=CN=CC(=C23)OC
- Molecular Formula
- C13H12N2O2
- Molecular Weight
- 228.2510
- Inchikey
- XGHOPBXTZOLJBY-UHFFFAOYSA-N
- Inchi
- InChI=1S/C13H12N2O2/c1-16-10-5-3-4-8-12-9(15-13(8)10)6-14-7-11(12)17-2/h3-7,15H,1-2H3
- Isomeric Smiles
- COC1=CC=CC2=C1NC3=CN=CC(=C23)OC
- Cas Id
- Ob Score
- Mol Logp
- 2.7333
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7330
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Picrasidine P
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Picrasidine p
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Picrasidine p
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
picrasidine p
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4,8-Dimethoxy-9H-pyrido[3,4-b]indole
Role
alias
Source
HERB_v2
Preferred
No
Name
4,8-Dimethoxy-9H-pyrido[3,4-b]indole
Role
alias
Source
itcmdb_public
Preferred
No
Name
99964-78-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
99964-78-0
Role
alias
Source
HERB_v2
Preferred
No
Name
DB-348978
Role
alias
Source
itcmdb_public
Preferred
No
Name
DB-348978
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
4,8-Dimethoxy-9H-pyrido[3,4-b]indole99964-78-0DB-348978
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN039856
Tcmid
17294
Pub Chem
11042476
Tcmbank
TCMBANKIN009527
Etcm Ingredient
Picrasidine P
Itcmdb Generated
ITX-INGREDIENT-3FFF0344DB96
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C13H12N2O2/c1-16-10-5-3-4-8-12-9(15-13(8)10)6-14-7-11(12)17-2/h3-7,15H,1-2H3
Mol Wt
228.251
Smiles
COC1=CC=CC2=C1NC3=CN=CC(=C23)OC
Mol Log P
2.733300000000001
In Ch Ikey
XGHOPBXTZOLJBY-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.733
Num Hacceptors
3
Isomeric Smiles
COC1=CC=CC2=C1NC3=CN=CC(=C23)OC
Canonical Smiles
COC1=CC=CC2=C1NC3=CN=CC(=C23)OC
Herb Alias Names
4,8-Dimethoxy-9H-pyrido[3,4-b]indole99964-78-0DB-348978
Molecular Weight
252.090
Molecular Weight
228.25 g/mol
Molecular Formula
C15H12N2O2
Molecular Formula
C13H12N2O2
Molecular Formula
C13H12N2O2
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.718
Quantitative Estimate Of Drug Likeness（Qed）
0.713