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» Substance Summary
(-)-Ormosanine -
Substance Summary
(SID
12960
)
Table of Contents
Data Source
Synonyms
Properties
Descriptors
Substance Information
Comments
Exports
Data
Source
:
Depositor:
KEGG
External ID:
C10777
Depositor-Supplied Synonyms:
(Total: 3)
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(-)-Ormosanine
C10777
5001-21-8
Properties Computed from Structure:
Molecular Weight
317.512 [g/mol]
Molecular Formula
C
20
H
35
N
3
XLogP3-AA
2.7
H-Bond Donor
2
H-Bond Acceptor
3
Rotatable Bond Count
1
Exact Mass
317.283098
MonoIsotopic Mass
317.283098
Topological Polar Surface Area
27.3
Heavy Atom Count
23
Formal Charge
0
Complexity
439
Isotope Atom Count
0
Defined Atom StereoCenter Count
6
Undefined Atom StereoCenter Count
0
Defined Bond StereoCenter Count
0
Undefined Bond StereoCenter Count
0
Covalently-Bonded Unit Count
1
Descriptors Computed from Structure:
Canonical SMILES:
C1CCNC(C1)C23CC(CC4C2NCCC4)C5CCCCN5C3
Isomeric SMILES:
C1CCN[C@H](C1)[C@]23C[C@@H](C[C@H]4[C@H]2NCCC4)[C@H]5CCCCN5C3
InChI:
InChI=1S/C20H35N3/c1-3-9-21-18(8-1)20-13-16(12-15-6-5-10-22-19(15)20)17-
7-2-4-11-23(17)14-20/h15-19,21-22H,1-14H2/t15-,16+,17+,18+,19+,20+/m0/s1
InChIKey:
YUKCLPPRYNXRAF-RFVXBFLTSA-N
Substance Information:
SID
12960
Deposit Date: 2005-06-24
Modify Date: 2008-09-10
CID
442959
Create Date: 2005-06-24
Related Substances:
Same:
3 Links
Same, Connectivity:
33 Links
Similar Substances:
44 Links
Depositor-Supplied Comments:
CAS: 5001-21-8
KNApSAcK: C00002230
ASN1
XML
SDF
Compound Displayed
Deposited
PubChem
2D
3D
2D
3D
Compound ID
442959
Molecular Weight
317.512 [g/mol]
Molecular Formula
C
20
H
35
N
3
XLogP3-AA
2.7
H-Bond Donor
2
H-Bond Acceptor
3
Links
Chemical Structure Search
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