Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 10977
- Core Entity Id
- 15366
- Source Entity Count
- 1
- Preferred Name
- Anticancer alkaloid pmv70p691-051
- Name En
- Pubchem Id
- 337827
- Smiles Canonical
- C1=CC=C2C(=C1)C3=C(N2)C(=O)C4=CC=CC=C4N3
- Molecular Formula
- C15H10N2O
- Molecular Weight
- 234.2580
- Inchikey
- AETJISOJRRTLLJ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H10N2O/c18-15-10-6-2-4-8-12(10)16-13-9-5-1-3-7-11(9)17-14(13)15/h1-8,17H,(H,16,18)
- Isomeric Smiles
- C1=CC=C2C(=C1)C3=C(N2)C(=O)C4=CC=CC=C4N3
- Cas Id
- Ob Score
- Mol Logp
- 3.1626
- Num H Donors
- 2
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4820
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Anticancer Alkaloid PMV70P691-051
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Anticancer Alkaloid PMV70P691-051
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Anticancer alkaloid pmv70p691-051
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Anticancer alkaloid pmv70p691-051
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
黄花稔
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HUANG HUA REN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Acute Sida
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
10h-indolo[3,2-b]quinolin-11-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
10h-indolo[3,2-b]quinolin-11-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,10-dihydroindolo[3,2-b]quinolin-11-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,10-dihydroindolo[3,2-b]quinolin-11-one
Role
alias
Source
HERB_v2
Preferred
No
Name
80289-15-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
80289-15-2
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL1256564
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1256564
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID10320302
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID10320302
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC 357573
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC357573
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL7846565
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL7846565
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
黄花稔HUANG HUA RENAcute Sida10h-indolo[3,2-b]quinolin-11-ol5,10-dihydroindolo[3,2-b]quinolin-11-one80289-15-2CHEMBL1256564DTXSID10320302NSC 357573NSC357573SCHEMBL7846565
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN016309
Npass
NPC252572
Tcmid
1381
Pub Chem
337827
Tcmbank
TCMBANKIN047327
Etcm Ingredient
Anticancer Alkaloid PMV70P691-051
Itcmdb Generated
ITX-INGREDIENT-A56159C5FB07
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H10N2O/c18-15-10-6-2-4-8-12(10)16-13-9-5-1-3-7-11(9)17-14(13)15/h1-8,17H,(H,16,18)
Mol Wt
234.258
Mol Log P
3.1626
In Ch Ikey
AETJISOJRRTLLJ-UHFFFAOYSA-N
Tcm Name
黄花稔
Tcm Name2
HUANG HUA REN
Mol2 Path
/TCM_database/2007_3d_all/01381.mol2
Reference
5038
Num Hdonors
2
Tcm Name En
Acute Sida
Drug Likeness
0.482
Num Hacceptors
1
Isomeric Smiles
C1=CC=C2C(=C1)C3=C(N2)C(=O)C4=CC=CC=C4N3
Canonical Smiles
C1=CC=C2C(=C1)C3=C(N2)C(=O)C4=CC=CC=C4N3
Herb Alias Names
NSC35757380289-15-2NSC 3575735,10-dihydroindolo[3,2-b]quinolin-11-oneSCHEMBL7846565CHEMBL1256564DTXSID1032030210h-indolo[3,2-b]quinolin-11-olNSC-357573
Molecular Weight
234.080
Molecular Formula
C15H10N2O
Molecular Formula
C15H10N2O
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.760
Quantitative Estimate Of Drug Likeness（Qed）
0.482