Isoborreverine

Isoborreverine
Compound Structure:
Synonyms: 2-[2-[(6R,6aS,10aS)-7,7,9-trimethyl-11-[2-(methylamino)ethyl]-6,6a,8,10a-tetrahydroisoindolo[2,1-a]indol-6-yl]-1H-indol-3-yl]-N-methylethanamine
Compound ID: NMPC-1149
PubChem ID:

57412092
Molecular Formula: C32H40N4
Canonical SMILES: CC1=CC2C(C(N3C2=C(C4=CC=CC=C43)CCNC)C5=C(C6=CC=CC=C6N5)CCNC)C(C1)(C)C
InChIKey: FBZQUXDSJCSNQP-BOBPPRSMSA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

480.7 g/mol

XLogP3-AA

5.5

Hydrogen Bond Donor Count

3

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

7

Exact Mass

480.32529729 g/mol

Monoisotopic Mass

480.32529729 g/mol

Topological Polar Surface Area

44.8Ų

Heavy Atom Count

36

Formal Charge

0

Complexity

806

Isotope Atom Count

0

Defined Atom Stereocenter Count

3

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                       

                                                                                             
Source Species: Borreria verticillata.
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