prop-2-en-1-yl N-[(4S,4aR,7R,8R,8aS)-7-hydroxy-8-(hydroxymethyl)-4-[(isopropylcarbamoyl)methyl]-4a,8-dimethyl-4H,5H,6H,7H,8aH,9H-naphtho[2,3-d][1,3]thiazol-2-yl]carbamate
AlkaPlorer ID: AK157541
Synonym: None
IUPAC Name: prop-2-enyl N-[(4S,4aR,7R,8R,8aS)-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-[2-oxo-2-(propan-2-ylamino)ethyl]-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]carbamate
Structure
SMILES: C=CCOC(=O)NC1=NC2=C(C[C@@H]3[C@](C)(CO)[C@H](O)CC[C@@]3(C)[C@@H]2CC(=O)NC(C)C)S1
InChI: InChI=1S/C23H35N3O5S/c1-6-9-31-21(30)26-20-25-19-14(10-18(29)24-13(2)3)22(4)8-7-17(28)23(5,12-27)16(22)11-15(19)32-20/h6,13-14,16-17,27-28H,1,7-12H2,2-5H3,(H,24,29)(H,25,26,30)/t14-,16+,17-,22+,23+/m1/s1
InChIKey: XGKJKNWRBUZFAF-CUBWWMDSSA-N
Reference
Chemical constituents of Harpullia pendula. II. Further constituents of the bark and leaves
PubChem CID: 7143613
SuperNatural Ⅲ: SN0429492-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
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Properties Information
Molecule Weight: 465.6160000000002
TPSA？: 120.78
MolLogP？: 3.207800000000001
Number of H-Donors: 4
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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