Kulokekahilide 1
AlkaPlorer ID: AK051453
Synonym: '', 'Kulokekahilide 1'
IUPAC Name: (3S,6S,12R,15S,18S,24S,27R,28R,31S)-24-benzyl-13,27-dimethyl-3-[(2R)-1-phenylpropan-2-yl]-12,15-di(propan-2-yl)-28-propyl-16,25-dioxa-1,4,10,13,22,29-hexazatetracyclo[29.3.0.06,10.018,22]tetratriacontane-2,5,11,14,17,23,26,30-octone
Structure
SMILES: CCC[C@H]1N=C(O)[C@@H]2CCCN2C(=O)[C@H]([C@H](C)CC2=CC=CC=C2)N=C(O)[C@@H]2CCCN2C(=O)[C@@H](C(C)C)N(C)C(=O)[C@H](C(C)C)OC(=O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=CC=C2)OC(=O)[C@@H]1C
InChI: InChI=1S/C53H74N6O10/c1-9-19-38-35(7)52(66)68-42(31-37-22-14-11-15-23-37)48(62)59-29-18-26-41(59)53(67)69-45(33(4)5)51(65)56(8)44(32(2)3)50(64)58-28-17-25-40(58)47(61)55-43(34(6)30-36-20-12-10-13-21-36)49(63)57-27-16-24-39(57)46(60)54-38/h10-15,20-23,32-35,38-45H,9,16-19,24-31H2,1-8H3,(H,54,60)(H,55,61)/t34-,35-,38-,39+,40+,41+,42+,43+,44-,45+/m1/s1
InChIKey: HEQFVTIDWBACAH-MGRSABLUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Philinopsis speciosa | Philinopsis | Aglajidae | Cephalaspidea | Gastropoda | Mollusca | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 955.2069999999998
TPSA？: 199.02
MolLogP？: 6.143500000000008
Number of H-Donors: 2
Number of H-Acceptors: 10
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|