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Isopsychotridine B

AlkaPlorer ID: AK020674

Synonym: ''

IUPAC Name: (3aS,8bS)-5-[(3aS,8bS)-5-[(3aR,8bR)-5-[(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]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-8b-[(3aR,8bR)-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@@]43C3=CC=CC4=C3N[C@H]3N(C)CC[C@@]43[C@]34CCN(C)[C@H]3NC3=CC=CC=C34)C3=C(N[C@H]12)C([C@@]12CCN(C)[C@@H]1NC1=CC=CC=C12)=CC=C3

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InChI: InChI=1S/C55H62N10/c1-61-28-23-51(33-13-6-8-21-41(33)56-46(51)61)35-15-10-16-36-43(35)58-47-52(36,24-29-62(47)2)37-17-11-18-38-44(37)59-48-53(38,25-30-63(48)3)39-19-12-20-40-45(39)60-50-55(40,27-32-65(50)5)54-26-31-64(4)49(54)57-42-22-9-7-14-34(42)54/h6-22,46-50,56-60H,23-32H2,1-5H3/t46-,47+,48-,49+,50-,51-,52+,53-,54-,55+/m0/s1

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InChIKey: FULWLJOIKDTPIZ-IRMQNZEHSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Psychotria milnei Psychotria Rubiaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 863.1709999999998

TPSA？: 76.35000000000001

MolLogP？: 7.156200000000006

Number of H-Donors: 5

Number of H-Acceptors: 10

RingCount: 15

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information