ITCMDBv1
IngredientID 15266

Corycavine

C21H21NO5

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Herb: 2Ingredient: 1Target: 12Links: 14
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
15266
Core Entity Id
20134
Source Entity Count
1
Preferred Name
Corycavine
Name En
Pubchem Id
276145
Smiles Canonical
CC1C2=C(CN(CCC3=CC4=C(C=C3C1=O)OCO4)C)C5=C(C=C2)OCO5
Molecular Formula
C21H21NO5
Molecular Weight
367.4010
Inchikey
WOLWLEQYUFDNTA-UHFFFAOYSA-N
Inchi
InChI=1S/C21H21NO5/c1-12-14-3-4-17-21(27-11-24-17)16(14)9-22(2)6-5-13-7-18-19(26-10-25-18)8-15(13)20(12)23/h3-4,7-8,12H,5-6,9-11H2,1-2H3
Isomeric Smiles
CC1C2=C(CN(CCC3=CC4=C(C=C3C1=O)OCO4)C)C5=C(C=C2)OCO5
Cas Id
521-87-9
Ob Score
67.1780
Mol Logp
3.1183
Num H Donors
0
Num H Acceptors
6
Num Rotatable Bonds
0
Drug Likeness
0.7130
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
Corycavine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Corycavine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Corycavine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Corycavine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
corycavine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,15-DIMETHYL-7,9,19,21-TETRAOXA-15-AZAPENTACYCLO[15.7.0.0?,(1)(2).0?,(1)?.0(1)?,(2)(2)]TETRACOSA-1(24),4,6(10),11,17,22-HEXAEN-3-ONE
Role
alias
Source
TCMBank
Preferred
No
Name
521-87-9
Role
alias
Source
HERB_v2
Preferred
No
Name
521-87-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
521-87-9
Role
alias
Source
TCMBank
Preferred
No
Name
7,16-Dimethyl-6,8,9,16-tetrahydrobis(1,3)benzodioxolo(4,5-c:5',6'-g)azecin-15(7H)-one
Role
alias
Source
HERB_v2
Preferred
No
Name
7,16-Dimethyl-6,8,9,16-tetrahydrobis(1,3)benzodioxolo(4,5-c:5',6'-g)azecin-15(7H)-one
Role
alias
Source
TCMBank
Preferred
No
Name
7,16-Dimethyl-6,8,9,16-tetrahydrobis(1,3)benzodioxolo(4,5-c:5',6'-g)azecin-15(7H)-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
7,16-Dimethyl-6,8,9,16-tetrahydrodi[1,3]benzodioxolo[4,5-c:5,6-g]azecin-15(7H)-one #
Role
alias
Source
TCMBank
Preferred
No
Name
AC1L5J6U
Role
alias
Source
TCMBank
Preferred
No
Name
AC1Q6P90
Role
alias
Source
TCMBank
Preferred
No
Name
ACM521857
Role
alias
Source
TCMBank
Preferred
No
Name
ACon1_002262
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS000277068
Role
alias
Source
TCMBank
Preferred
No
Name
Ambap521-85-7
Role
alias
Source
TCMBank
Preferred
No
Name
BG01348418
Role
alias
Source
TCMBank
Preferred
No
Name
BRD-A25851298-001-01-3
Role
alias
Source
TCMBank
Preferred
No
Name
Bis[1,3]benzodioxolo[4,5-c:5',6'-g]azecin-13(5H)-one, 4,6,7,14-tetrahydro-5,14-dimethyl-, (R)-
Role
alias
Source
TCMBank
Preferred
No
Name
C-54667
Role
alias
Source
TCMBank
Preferred
No
Name
CORYCAVINE
Role
alias
Source
TCMBank
Preferred
No
Name
Corycavamine, (+/-)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Corycavamine, (+/-)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Corycavamine, (+/-)-
Role
alias
Source
TCMBank
Preferred
No
Name
DM85L9FV7N
Role
alias
Source
itcmdb_public
Preferred
No
Name
DM85L9FV7N
Role
alias
Source
HERB_v2
Preferred
No
Name
Dibenzo[c,g]azecin-13-one, perhydro-6,14-dimethyl-3,4:10,11-bis(methylenedioxy)-
Role
alias
Source
TCMBank
Preferred
No
Name
NCI60_000225
Role
alias
Source
TCMBank
Preferred
No
Name
NSC-123402
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC123402
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC123402
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-DM85L9FV7N
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-DM85L9FV7N
Role
alias
Source
itcmdb_public
Preferred
No
Name
WOLWLEQYUFDNTA-UHFFFAOYSA-N
Role
alias
Source
TCMBank
Preferred
No

Aliases

Additional names normalized into the restored final schema.

2,15-DIMETHYL-7,9,19,21-TETRAOXA-15-AZAPENTACYCLO[15.7.0.0?,(1)(2).0?,(1)?.0(1)?,(2)(2)]TETRACOSA-1(24),4,6(10),11,17,22-HEXAEN-3-ONE521-87-97,16-Dimethyl-6,8,9,16-tetrahydrobis(1,3)benzodioxolo(4,5-c:5',6'-g)azecin-15(7H)-one7,16-Dimethyl-6,8,9,16-tetrahydrodi[1,3]benzodioxolo[4,5-c:5,6-g]azecin-15(7H)-one #AC1L5J6UAC1Q6P90ACM521857ACon1_002262AKOS000277068Ambap521-85-7BG01348418BRD-A25851298-001-01-3Bis[1,3]benzodioxolo[4,5-c:5',6'-g]azecin-13(5H)-one, 4,6,7,14-tetrahydro-5,14-dimethyl-, (R)-C-54667Corycavamine, (+/-)-DM85L9FV7NDibenzo[c,g]azecin-13-one, perhydro-6,14-dimethyl-3,4:10,11-bis(methylenedioxy)-NCI60_000225NSC-123402NSC123402UNII-DM85L9FV7NWOLWLEQYUFDNTA-UHFFFAOYSA-N

Cross References

Trusted external identifiers retained for this final record.

Cas
521-87-9
Herb
HBIN021539
Npass
NPC166543
Tcmid
4099
Tcmsp
MOL008634
Sym Map
SMIT00733
Pub Chem
276145
Tcmbank
TCMBANKIN034837
Etcm Ingredient
Corycavine
Itcmdb Generated
ITX-INGREDIENT-31A5F5944407

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
In Ch I
InChI=1S/C21H21NO5/c1-12-14-3-4-17-21(27-11-24-17)16(14)9-22(2)6-5-13-7-18-19(26-10-25-18)8-15(13)20(12)23/h3-4,7-8,12H,5-6,9-11H2,1-2H3
Mol Wt
367.4010000000002
Cas Id
521-87-9
Smiles
CC1C2=C(CN(CCC3=CC4=C(C=C3C1=O)OCO4)C)C5=C(C=C2)OCO5
Mol Log P
3.118300000000001
Version
v1,v2
In Ch Ikey
WOLWLEQYUFDNTA-UHFFFAOYSA-N
Ob Score
67.17867.17845367.17845322
Suppress
0
Num Hdonors
0
Drug Likeness
0.713
Num Hacceptors
6
Isomeric Smiles
CC1C2=C(CN(CCC3=CC4=C(C=C3C1=O)OCO4)C)C5=C(C=C2)OCO5
Molecule Weight
367.43
Canonical Smiles
CC1C2=C(CN(CCC3=CC4=C(C=C3C1=O)OCO4)C)C5=C(C=C2)OCO5
Herb Alias Names
NSC123402521-87-9Corycavamine, (+/-)-UNII-DM85L9FV7NDM85L9FV7N(+/-)-corycavamineNSC 1234027,16-Dimethyl-6,8,9,16-tetrahydrobis(1,3)benzodioxolo(4,5-c:5',6'-g)azecin-15(7H)-oneNSC-123402
Molecular Weight
367.140
Molecular Weight
367.4
Molecule Formula
C21H21NO5
Molecular Formula
C21H21NO5
Molecular Formula
C21H21NO5
Molecular Formula
C21H21NO5
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.832
Quantitative Estimate Of Drug Likeness（Qed）
0.713