Molecule

Phomopchalasin A

AlkaPlorer ID: AK103315

Synonym: None

IUPAC Name: (1R,2R,3S,7R,9R,10S,11R,12S,14S,15R,16S)-16-benzyl-2,9,12-trihydroxy-5,7,14-trimethyl-13-methylidene-17-azatetracyclo[9.7.0.01,15.03,10]octadec-4-en-18-one

Structure

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

InChI: InChI=1S/C28H37NO4/c1-14-10-15(2)12-21(30)22-19(11-14)26(32)28-23(16(3)17(4)25(31)24(22)28)20(29-27(28)33)13-18-8-6-5-7-9-18/h5-9,11,15-16,19-26,30-32H,4,10,12-13H2,1-3H3,(H,29,33)/t15-,16-,19+,20+,21-,22-,23+,24+,25-,26-,28-/m1/s1

InChIKey: JVLHNUNFFFDFDT-XIHPKKOBSA-N

Reference

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

PubChem CID: 139591044

LOTUS: LTS0013567

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NPAtlas: NPA023796

Source

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

Properties Information

Molecule Weight: 451.6070000000002

TPSA？: 93.28000000000002

MolLogP？: 3.697400000000002

Number of H-Donors: 4

Number of H-Acceptors: 4

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi