ITCMDBv1
IngredientID 23868

Korseveriline

C27H45NO3

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Herb: 3Ingredient: 1Target: 2Links: 5
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
23868
Core Entity Id
29714
Source Entity Count
1
Preferred Name
Korseveriline
Name En
Pubchem Id
3310199
Smiles Canonical
CC1CCC2C(C3CCC4(C(C3CN2C1)CC5C4CC(C6C5(CCC(C6)O)C)O)O)C
Molecular Formula
C27H45NO3
Molecular Weight
431.6610
Inchikey
NQGYOUYEGZOZBN-UHFFFAOYSA-N
Inchi
InChI=1S/C27H45NO3/c1-15-4-5-24-16(2)18-7-9-27(31)20(19(18)14-28(24)13-15)11-21-22(27)12-25(30)23-10-17(29)6-8-26(21,23)3/h15-25,29-31H,4-14H2,1-3H3
Isomeric Smiles
CC1CCC2C(C3CCC4(C(C3CN2C1)CC5C4CC(C6C5(CCC(C6)O)C)O)O)C
Cas Id
21851-05-8
Ob Score
35.1617
Mol Logp
3.6781
Num H Donors
3
Num H Acceptors
4
Num Rotatable Bonds
0
Drug Likeness
0.5470
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name
Korseveriline
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Korseveriline
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Korseveriline
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Korseveriline
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Korseveriline
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
川贝母
Role
TCM_name
Source
TCMBank
Preferred
No
Name
CHUAN BEI MU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Tendrilleaf Fritillary
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
1260207-37-1
Role
alias
Source
HERB_v2
Preferred
No
Name
1260207-37-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
6,10,23-TRIMETHYL-4-AZAHEXACYCLO[12.11.0.0(2),(1)(1).0?,?.0(1)?,(2)?.0(1)?,(2)(3)]PENTACOSANE-14,17,20-TRIOL
Role
alias
Source
itcmdb_public
Preferred
No
Name
6,10,23-TRIMETHYL-4-AZAHEXACYCLO[12.11.0.0(2),(1)(1).0?,?.0(1)?,(2)?.0(1)?,(2)(3)]PENTACOSANE-14,17,20-TRIOL
Role
alias
Source
HERB_v2
Preferred
No
Name
6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-14,17,20-triol
Role
alias
Source
itcmdb_public
Preferred
No
Name
6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-14,17,20-triol
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS025247980
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS025247980
Role
alias
Source
HERB_v2
Preferred
No
Name
BBL033912
Role
alias
Source
HERB_v2
Preferred
No
Name
BBL033912
Role
alias
Source
itcmdb_public
Preferred
No
Name
STL372867
Role
alias
Source
HERB_v2
Preferred
No
Name
STL372867
Role
alias
Source
itcmdb_public
Preferred
No
Name
VS-12340
Role
alias
Source
HERB_v2
Preferred
No
Name
VS-12340
Role
alias
Source
itcmdb_public
Preferred
No
Name
cevane-3,6,14-triol
Role
alias
Source
HERB_v2
Preferred
No
Name
cevane-3,6,14-triol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Korseveramine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
korseveramine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
korseveriline
Role
alias
Source
TCMBank
Preferred
No

Aliases

Additional names normalized into the restored final schema.

川贝母CHUAN BEI MUTendrilleaf Fritillary1260207-37-16,10,23-TRIMETHYL-4-AZAHEXACYCLO[12.11.0.0(2),(1)(1).0?,?.0(1)?,(2)?.0(1)?,(2)(3)]PENTACOSANE-14,17,20-TRIOL6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-14,17,20-triolAKOS025247980BBL033912STL372867VS-12340cevane-3,6,14-triolKorseveramine

Cross References

Trusted external identifiers retained for this final record.

Cas
21851-05-8
Herb
HBIN032261HBIN032260
Npass
NPC220107
Tcmid
1227212271
Tcmsp
MOL009588
Sym Map
SMIT10699SMIT16192SMIT16191
Tcm Id
2308823087
Pub Chem
331019910131698416406745
Tcmbank
TCMBANKIN027613TCMBANKIN008980TCMBANKIN049126
Etcm Ingredient
KorseverilineKorseveramine
Itcmdb Generated
ITX-INGREDIENT-20FA85132133ITX-INGREDIENT-AF08479EDFA2ITX-INGREDIENT-EFE485F921D0

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
In Ch I
InChI=1S/C27H45NO3/c1-15-4-5-24-16(2)18-7-9-27(31)20(19(18)14-28(24)13-15)11-21-22(27)12-25(30)23-10-17(29)6-8-26(21,23)3/h15-25,29-31H,4-14H2,1-3H3
Mol Wt
431.6610000000002
Cas Id
21851-05-8
Smiles
CC1CCC2C(C3CCC4(C(C3CN2C1)CC5C4CC(C6C5(CCC(C6)O)C)O)O)C
Mol Log P
3.678100000000004
Version
v1,v2
In Ch Ikey
NQGYOUYEGZOZBN-UHFFFAOYSA-N
Ob Score
35.1617109935.162
Suppress
1
Tcm Name
川贝母
Tcm Name2
CHUAN BEI MU
Mol2 Path
/TCM_database/2003_3d_all/4728.mol2
Reference
6
Num Hdonors
3
Tcm Name En
Tendrilleaf Fritillary
Drug Likeness
0.547
Num Hacceptors
4
Isomeric Smiles
CC1CCC2C(C3CCC4(C(C3CN2C1)CC5C4CC(C6C5(CCC(C6)O)C)O)O)C
Molecule Weight
431.73
Canonical Smiles
CC1CCC2C(C3CCC4(C(C3CN2C1)CC5C4CC(C6C5(CCC(C6)O)C)O)O)C
Herb Alias Names
cevane-3,6,14-triol1260207-37-16,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-14,17,20-triolBBL033912STL372867AKOS025247980VS-123406,10,23-TRIMETHYL-4-AZAHEXACYCLO[12.11.0.0(2),(1)(1).0?,?.0(1)?,(2)?.0(1)?,(2)(3)]PENTACOSANE-14,17,20-TRIOL
Molecular Weight
431.340
Molecular Weight
431.7 g/mol
Molecule Formula
C27H45NO3
Molecular Formula
C27H45NO3
Molecular Formula
C27H45NO3
Molecular Formula
C27H45NO3
Num Rotatable Bonds
0
Link Ingredient Id
10699.0
Fda Maximum Daily Dose (Fdamdd)
0.280
Quantitative Estimate Of Drug Likeness（Qed）
0.547