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Hodgkinsine

AlkaPlorer ID: AK044502

Synonym: '', '(-)-Hodgkinsine B', 'Hodgkinsine', 'Hodgkinsine B'

IUPAC Name: (3aR,8bR)-5-[(3aR,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-8b-[(3aS,8bS)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole

Structure

SMILES: CN1CC[C@]2(C3=CC=CC4=C3N[C@@H]3N(C)CC[C@]43[C@@]34CCN(C)[C@@H]3NC3=CC=CC=C34)C3=CC=CC=C3N[C@H]12

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InChI: InChI=1S/C33H38N6/c1-37-18-15-31(21-9-4-6-13-25(21)34-28(31)37)23-11-8-12-24-27(23)36-30-33(24,17-20-39(30)3)32-16-19-38(2)29(32)35-26-14-7-5-10-22(26)32/h4-14,28-30,34-36H,15-20H2,1-3H3/t28-,29+,30-,31-,32-,33+/m1/s1

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InChIKey: DPVWJPVYOXKFRQ-BDMNMGLZSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Penicillium verrucosum Penicillium Aspergillaceae Eurotiales Eurotiomycetes Ascomycota Fungi Eukaryota

Properties Information

Molecule Weight: 518.7090000000002

TPSA？: 45.81

MolLogP？: 4.409800000000002

Number of H-Donors: 3

Number of H-Acceptors: 6

RingCount: 9

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information