Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 12Links: 15
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 21776
- Core Entity Id
- 27391
- Source Entity Count
- 1
- Preferred Name
- Hydroxyevodiamine
- Name En
- Pubchem Id
- 56967381
- Smiles Canonical
- CN1C2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=C(N3)C=CC(=C5)O
- Molecular Formula
- C19H17N3O2
- Molecular Weight
- 319.3640
- Inchikey
- XYSMNZWLVJYABK-UHFFFAOYSA-N
- Inchi
- InChI=1S/C19H17N3O2/c1-21-16-5-3-2-4-13(16)19(24)22-9-8-12-14-10-11(23)6-7-15(14)20-17(12)18(21)22/h2-7,10,18,20,23H,8-9H2,1H3
- Isomeric Smiles
- CN1C2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=C(N3)C=CC(=C5)O
- Cas Id
- 1238-43-3
- Ob Score
- 72.1070
- Mol Logp
- 3.0204
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6690
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Hydroxyevodiamine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Hydroxyevodiamine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Hydroxyevodiamine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Hydroxyevodiamine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
hydroxyevodiamine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
10-Hydroxyevodiamine
Role
alias
Source
HERB_v2
Preferred
No
Name
10-Hydroxyevodiamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
1238-43-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
1238-43-3
Role
alias
Source
HERB_v2
Preferred
No
Name
13b-Hydroxy-14-methyl-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one
Role
alias
Source
TCMBank
Preferred
No
Name
7-hydroxy-21-methyl-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,15,17,19-heptaen-14-one
Role
alias
Source
HERB_v2
Preferred
No
Name
7-hydroxy-21-methyl-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,15,17,19-heptaen-14-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
8,13,13b,14-Tetrahydro-13b-hydroxy-14-methylindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
8,13,13b,14-Tetrahydro-13b-hydroxy-14-methylindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one
Role
alias
Source
HERB_v2
Preferred
No
Name
Ambotz526-43-2
Role
alias
Source
TCMBank
Preferred
No
Name
CHEMBL2171812
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL2171812
Role
alias
Source
itcmdb_public
Preferred
No
Name
DA-54166
Role
alias
Source
itcmdb_public
Preferred
No
Name
DA-54166
Role
alias
Source
HERB_v2
Preferred
No
Name
Hydroxy evodiamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hydroxy evodiamine
Role
alias
Source
HERB_v2
Preferred
No
Name
MolPort-020-005-715
Role
alias
Source
TCMBank
Preferred
No
Name
Rhetsinine
Role
alias
Source
HERB_v2
Preferred
No
Name
Rhetsinine
Role
alias
Source
itcmdb_public
Preferred
No
Name
hydroxy evodiamine
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
10-Hydroxyevodiamine1238-43-313b-Hydroxy-14-methyl-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one7-hydroxy-21-methyl-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,15,17,19-heptaen-14-one8,13,13b,14-Tetrahydro-13b-hydroxy-14-methylindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-oneAmbotz526-43-2CHEMBL2171812DA-54166Hydroxy evodiamineMolPort-020-005-715Rhetsinine
Cross References
Trusted external identifiers retained for this final record.
Cas
1238-43-3
Herb
HBIN029718
Tcmid
1011623906
Tcmsp
MOL003963
Sym Map
SMIT00342SMIT01936
Tcm Id
193283653
Pub Chem
5696738171307457
Tcmbank
TCMBANKIN012990
Etcm Ingredient
Hydroxyevodiamine
Itcmdb Generated
ITX-INGREDIENT-58AAD570C985
Attributes
Merged source attributes and domain-specific metadata.
Type
Blood ingredients,Other ingredients,Metabolic ingredients
In Ch I
InChI=1S/C19H17N3O2/c1-21-16-5-3-2-4-13(16)19(24)22-9-8-12-14-10-11(23)6-7-15(14)20-17(12)18(21)22/h2-7,10,18,20,23H,8-9H2,1H3
Mol Wt
319.364
Cas Id
1238-43-3
Mol Log P
3.020400000000002
Version
v1,v2
In Ch Ikey
XYSMNZWLVJYABK-UHFFFAOYSA-N
Ob Score
72.10772.10742772.10742717
Suppress
0
Num Hdonors
2
Drug Likeness
0.669
Num Hacceptors
3
Isomeric Smiles
CN1C2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=C(N3)C=CC(=C5)O
Molecule Weight
319.39
Canonical Smiles
CN1C2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=C(N3)C=CC(=C5)O
Herb Alias Names
Hydroxy evodiamine1238-43-37-hydroxy-21-methyl-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,15,17,19-heptaen-14-one10-HydroxyevodiamineCHEMBL21718128,13,13b,14-Tetrahydro-13b-hydroxy-14-methylindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-oneRhetsinineDA-54166
Molecular Weight
319.130
Molecular Weight
319.36
Molecule Formula
C19H17N3O2
Molecular Formula
C19H17N3O2
Molecular Formula
C19H17N3O2
Molecular Formula
C19H17N3O2
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.956
Quantitative Estimate Of Drug Likeness（Qed）
0.669