Caulerpin

Caulerpin
Compound Structure:
Synonyms: Caulerpin;26612-48-6;CHEMBL377236;CHEBI:80923;Dimethyl 5,12-dihydrocycloocta[1,2-b:5,6-b']diindole-6,13-dicarboxylate;Cycloocta(1,2-b:5,6-b')diindole-6,13-dicarboxylic acid, 5,12-dihydro-, dimethyl ester
Compound ID: NMPC-735
PubChem ID:

5326018
Molecular Formula: C24H18N2O4
Canonical SMILES: COC(=O)C1=CC2=C(C(=CC3=C1NC4=CC=CC=C43)C(=O)OC)NC5=CC=CC=C52
InChIKey: PVWALMHWUOWPPA-RPLHEXBESA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

398.4 g/mol

XLogP3-AA

4.3

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

4

Rotatable Bond Count

4

Exact Mass

398.12665706 g/mol

Monoisotopic Mass

398.12665706 g/mol

Topological Polar Surface Area

84.2Ų

Heavy Atom Count

30

Formal Charge

0

Complexity

711

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

2

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                                                                                             
Source Species: Landolphia owariensis
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