Molecule

Phomopchalasin B

AlkaPlorer ID: AK103328

Synonym: None

IUPAC Name: (1S,3S,4R,5S,8R,9S,10R,11R,14S,16R,18R)-5-benzyl-9,10-dihydroxy-3,12,14-trimethyl-2-methylidene-19-oxa-6-azapentacyclo[14.2.1.04,8.08,18.011,17]nonadec-12-en-7-one

Structure

SMILES: C=C1[C@@H](C)[C@H]2[C@H](CC3=CC=CC=C3)N=C(O)[C@]23[C@H](O)[C@H](O)[C@H]2C(C)=C[C@@H](C)C[C@H]4O[C@H]1[C@@H]3C42

InChI: InChI=1S/C28H35NO4/c1-13-10-14(2)20-21-19(11-13)33-25-16(4)15(3)22-18(12-17-8-6-5-7-9-17)29-27(32)28(22,23(21)25)26(31)24(20)30/h5-10,13,15,18-26,30-31H,4,11-12H2,1-3H3,(H,29,32)/t13-,15-,18+,19-,20+,21?,22+,23+,24-,25-,26-,28-/m1/s1

InChIKey: MLMRFXVBCDFIAD-LTMHNWRYSA-N

Reference

Phomopchalasins A and B, Two Cytochalasans with Polycyclic-Fused Skeletons from the Endophytic Fungus<i>Phomopsis</i>sp. shj2

PubChem CID: 139591043

LOTUS: LTS0220207

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NPAtlas: NPA023795

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Phomopsis sp. shj2	Phomopsis	Valsaceae	Diaporthales	Sordariomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 449.5910000000002

TPSA？: 82.28000000000002

MolLogP？: 3.713800000000002

Number of H-Donors: 3

Number of H-Acceptors: 4

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi