(15'Z,26'Z)-11'-ethyl-36'-[2-hydroxy-2-(3-hydroxypropoxy)ethyl]-18'-[(4-hydroxy-3-methoxyphenyl)methyl]-7'-(3-hydroxypropyl)-27'-(methylamino)-38'-[(methylamino)methyl]-31',39'-dioxa-26',28'-diazaspiro[cyclohexane-1,34'-octacyclo[27.12.1.1³?,³?.0²,?.0²,¹?.0?,¹³.0¹?,²².0³?,??]tritetracontane]-1'(41'),15',26',29'(42'),30'(40')-pentaen-24',32'-diyn-17'-one
AlkaPlorer ID: AK345286
Synonym: None
IUPAC Name: 11-ethyl-36-[2-hydroxy-2-(3-hydroxypropoxy)ethyl]-18-[(4-hydroxy-3-methoxyphenyl)methyl]-7-(3-hydroxypropyl)-38-(methylaminomethyl)-27-methyliminospiro[31,39-dioxa-26,28-diazaoctacyclo[27.12.1.135,38.02,6.02,14.08,13.018,22.030,40]tritetraconta-1(42),15,29,40-tetraen-24,32-diyne-34,1'-cyclohexane]-17-one
Structure
SMILES: CCC1CCC2C(C1)C1C=CC(=O)C3(CC4=CC=C(O)C(OC)=C4)CCCC3CC#CN=C(NC)NC3=CC(=CC4=C3OC#CC3(CCCCC3)C3CC(CNC)(CC3CC(O)OCCCO)O4)C13CCCC3C2CCCO
InChI: InChI=1S/C65H90N4O9/c1-5-43-18-20-48-49(16-12-30-70)51-17-10-27-65(51)47-37-54(60-57(38-47)78-63(42-66-2)40-45(36-59(74)76-32-13-31-71)53(41-63)62(28-33-77-60)24-7-6-8-25-62)69-61(67-3)68-29-11-15-46-14-9-26-64(46,58(73)23-21-52(65)50(48)34-43)39-44-19-22-55(72)56(35-44)75-4/h19,21-23,35,37-38,43,45-46,48-53,59,66,70-72,74H,5-10,12-18,20,24-27,30-32,34,36,39-42H2,1-4H3,(H2,67,68,69)
InChIKey: BNETUPMFGUWHBZ-UHFFFAOYSA-N
Reference
Constituents of the Leaves of<i>Macaranga</i><i>t</i><i>anarius</i>
PubChem CID: 162832832
COCONUT: CNP0094971.1
Source
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Properties Information
Molecule Weight: 1071.4539999999995
TPSA？: 183.36
MolLogP？: 10.180599999999991
Number of H-Donors: 7
Number of H-Acceptors: 13
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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