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
- 15459
- Core Entity Id
- 20350
- Source Entity Count
- 1
- Preferred Name
- Cryptolepinone
- Name En
- Pubchem Id
- 178034
- Smiles Canonical
- CN1C2=CC=CC=C2C(=O)C3=C1C4=CC=CC=C4N3
- Molecular Formula
- C16H12N2O
- Molecular Weight
- 248.2850
- Inchikey
- RSDQEJTWGFZASQ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H12N2O/c1-18-13-9-5-3-7-11(13)16(19)14-15(18)10-6-2-4-8-12(10)17-14/h2-9,17H,1H3
- Isomeric Smiles
- CN1C2=CC=CC=C2C(=O)C3=C1C4=CC=CC=C4N3
- Cas Id
- Ob Score
- Mol Logp
- 3.1730
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5100
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cryptolepinone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Cryptolepinone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Cryptolepinone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Cryptolepinone
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
11H-Quindolin-11-one, 5,10-dihydro-5-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
11H-Quindolin-11-one, 5,10-dihydro-5-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
160113-29-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
160113-29-1
Role
alias
Source
HERB_v2
Preferred
No
Name
178884-07-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
178884-07-6
Role
alias
Source
HERB_v2
Preferred
No
Name
5,10-Dihydro-5-methyl-11H-quindolin-11-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,10-Dihydro-5-methyl-11H-quindolin-11-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5-Methyl-5H-quindolin-11-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-Methyl-5H-quindolin-11-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
Hydroxycryptolepine
Role
alias
Source
HERB_v2
Preferred
No
Name
Hydroxycryptolepine
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC-669520
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC669520
Role
alias
Source
HERB_v2
Preferred
No
Name
RLM5790QIR
Role
alias
Source
HERB_v2
Preferred
No
Name
RLM5790QIR
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
黄花稔HUANG HUA RENAcute Sida11H-Quindolin-11-one, 5,10-dihydro-5-methyl-160113-29-1178884-07-65,10-Dihydro-5-methyl-11H-quindolin-11-one5-Methyl-5H-quindolin-11-olHydroxycryptolepineNSC-669520NSC669520RLM5790QIR
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021783
Npass
NPC75230
Tcmid
4281
Pub Chem
178034
Tcmbank
TCMBANKIN050040
Etcm Ingredient
Cryptolepinone
Itcmdb Generated
ITX-INGREDIENT-E0619D8A752C
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H12N2O/c1-18-13-9-5-3-7-11(13)16(19)14-15(18)10-6-2-4-8-12(10)17-14/h2-9,17H,1H3
Mol Wt
248.285
Mol Log P
3.173000000000001
In Ch Ikey
RSDQEJTWGFZASQ-UHFFFAOYSA-N
Tcm Name
黄花稔
Tcm Name2
HUANG HUA REN
Mol2 Path
/TCM_database/2007_3d_all/04282.mol2
Reference
5038
Num Hdonors
1
Tcm Name En
Acute Sida
Drug Likeness
0.51
Num Hacceptors
2
Isomeric Smiles
CN1C2=CC=CC=C2C(=O)C3=C1C4=CC=CC=C4N3
Canonical Smiles
CN1C2=CC=CC=C2C(=O)C3=C1C4=CC=CC=C4N3
Herb Alias Names
HydroxycryptolepineNSC669520RLM5790QIRNSC-6695205,10-Dihydro-5-methyl-11H-quindolin-11-one11H-Quindolin-11-one, 5,10-dihydro-5-methyl-178884-07-6160113-29-15-Methyl-5H-quindolin-11-ol
Molecular Weight
248.090
Molecular Weight
248.28 g/mol
Molecular Formula
C16H12N2O
Molecular Formula
C16H12N2O
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.895
Quantitative Estimate Of Drug Likeness（Qed）
0.510