Olivoretin C

HCID 185030

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Basic information

CAS: 90599-28-3
Standard SMILES: C=C[C@@]1(C)CC[C@](C)(C(C)C)c2c1cc1c3c(c[nH]c23)C[C@@H](COC)NC(=O)[C@H](C(C)C)N1C
InChIKey: SPQULBFESHXGLU-ZVYOULDASA-N
Molecular formula: C29H43N3O2
Average molar mass: 465.7 g/mol
Monoisotopic mass: 465.33552762

Overview

Olivoretin C has been reported in Streptomyces abikoensis and Streptomyces blastmyceticus with data available.

Names & identifiers

Preferred name: Olivoretin C
IUPAC: (6S,9S,14R,17R)-14-ethenyl-6-(methoxymethyl)-10,14,17-trimethyl-9,17-di(propan-2-yl)-2,7,10-triazatetracyclo[9.7.1.04,19.013,18]nonadeca-1(18),3,11(19),12-tetraen-8-one
English name: (4S,7S,10R,13R)-10-Ethenyl-1,3,4,5,7,8,10,11,12,13-decahydro-4-(methoxymethyl)-8,10,13-trimethyl-7,13-diisopropyl-6H-benzo[g][1,4]diazonino[7,6,5-cd]indol-6-one
Molecular weight: 0

Names & synonyms

Olivoretin C90599-28-3DTXSID30238213(6S,9S,14R,17R)-14-ethenyl-6-(methoxymethyl)-10,14,17-trimethyl-9,17-di(propan-2-yl)-2,7,10-triazatetracyclo(9.7.1.04,19.013,18)nonadeca-1(18),3,11(19),12-tetraen-8-one(6S,9S,14R,17R)-14-ethenyl-6-(methoxymethyl)-10,14,17-trimethyl-9,17-di(propan-2-yl)-2,7,10-triazatetracyclo[9.7.1.04,19.013,18]nonadeca-1(18),3,11(19),12-tetraen-8-oneRefChem:168167DTXCID50160704Olivoretine CSCHEMBL29783231(4s,7s,10r,13r)-10-ethenyl-4-(methoxymethyl)-8,10,13-trimethyl-7,13-di(propan-2-yl)-1,3,4,5,7,8,10,11,12,13-decahydro-6h-benzo[g][1,4]diazonino[7,6,5-cd]indol-6-one6H-Benzo(g)(1,4)diazonino(7,6,5-cd)indol-6-one, 10-ethenyl-1,3,4,5,7,8,10,11,12,13-decahydro-4-(methoxymethyl)-8,10,13- trimethyl-7,13-bis(1-methylethyl)-, (4S,7S,10R,13R)-(4S,7S,10R,13R)-10-Ethenyl-1,3,4,5,7,8,10,11,12,13-decahydro-4-(methoxymethyl)-8,10,13-trimethyl-7,13-diisopropyl-6H-benzo[g][1,4]diazonino[7,6,5-cd]indol-6-one

Database identifiers

CAS

Properties

Computed structural properties

XLogP: 7
Topological polar surface area: 57.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 34
Formal charge: 0
Complexity: 768

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