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name Structure Reference Source Properties Activities Metabolism

N-[(6R,7R,8S,8aS,10aR)-6-chloro-7-ethenyl-8a-hydroxy-7,10,10-trimethyl-8-(methylideneamino)-9-oxo-5,6,8,10a-tetrahydroanthracen-1-yl]formamide

AlkaPlorer ID: AK251387

Synonym: None

IUPAC Name: N-[(6R,7R,8S,8aS,10aR)-6-chloro-7-ethenyl-8a-hydroxy-7,10,10-trimethyl-8-(methylideneamino)-9-oxo-5,6,8,10a-tetrahydroanthracen-1-yl]formamide

Structure

SMILES: C=C[C@@]1(C)[C@H](Cl)C[C@@H]2C(C)(C)C3=CC=CC(N=CO)=C3C(=O)[C@@]2(O)[C@H]1N=C

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InChI: InChI=1S/C21H25ClN2O3/c1-6-20(4)15(22)10-14-19(2,3)12-8-7-9-13(24-11-25)16(12)17(26)21(14,27)18(20)23-5/h6-9,11,14-15,18,27H,1,5,10H2,2-4H3,(H,24,25)/t14-,15-,18+,20+,21-/m1/s1

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InChIKey: KUYNYZIXDYKMEA-JBJCYXPGSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 388.89500000000015

TPSA？: 82.25

MolLogP？: 3.9982000000000033

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information