Nectripenoid A
AlkaPlorer ID: AK114968
Synonym: 'Nectripenoid A'
IUPAC Name: (2S)-2-[(1S,2S,13R,16R,18R,21R)-2,10-dihydroxy-18-(2-hydroxypropan-2-yl)-13,21-dimethyl-12,17-dioxa-7-thia-5-azapentacyclo[11.8.0.03,11.04,8.016,21]henicosa-3,5,8,10-tetraen-9-yl]-4-methylhex-4-en-3-one
Structure
SMILES: CC=C(C)C(=O)[C@@H](C)C1=C(O)C2=C(C3=C1SC=N3)[C@@H](O)[C@@H]1[C@@]3(C)CC[C@H](C(C)(C)O)O[C@@H]3CC[C@@]1(C)O2
InChI: InChI=1S/C29H39NO6S/c1-8-14(2)21(31)15(3)18-22(32)24-19(20-25(18)37-13-30-20)23(33)26-28(6)11-9-16(27(4,5)34)35-17(28)10-12-29(26,7)36-24/h8,13,15-17,23,26,32-34H,9-12H2,1-7H3/t15-,16+,17+,23+,26+,28-,29+/m0/s1
InChIKey: PCXYNPZFXNAMHW-LWOFVPAZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Goniasteridae | Valvatida | Asteroidea | Echinodermata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 529.6990000000004
TPSA？: 109.11
MolLogP？: 5.560000000000007
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|